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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
(1R,12S,14S)-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-9,14-diol
275.34
1.6
2
4
52.93
0
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
943.10
0.8
11
18
294.98
9
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
813.00
1.7
10
15
256.29
8
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-(2-oxoethyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
971.10
-0.3
11
19
312.05
11
rubriflorin B
416.50
4.2
1
7
83.45
5
Isolariciresinol 4-O-|A-D-glucopyranoside
522.50
0.2
7
11
178.53
8
6,7,21-Trihydroxy-17,17,20-trimethyl-8-(3-methylbut-2-enyl)-10,12,18-trioxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14(19),15,20-octaen-2-one
448.50
6.4
3
7
113.27
2
(21R,22S)-11,17,21,22-tetrahydroxy-7,7,10,20,20-pentamethyl-2,8,19,25-tetraoxahexacyclo[12.11.0.03,12.04,9.015,24.018,23]pentacosa-1(14),3(12),4(9),5,10,15,17,23-octaen-13-one
480.50
3.7
4
9
142.73
0
(3R)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3R)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2H-pyrano[2,3-h]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-4-one
766.70
6.3
6
14
210.9
5
10,13-deacetyl-abeo-baccatin IV
568.60
-0.9
3
12
175.12
9
[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-phenylprop-2-enoate
570.90
13
0
2
26.3
9
2-[4-[2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propoxy]-3-methoxyphenyl]-5,7-dihydroxychromen-4-one
496.50
1.9
5
10
159.05
8
[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1285.40
-5.3
19
30
493.74
16
Murrayacinine
345.40
5.7
1
2
42.09
4
Retene
234.30
6.5
0
0
0
1
methyl (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate
352.30
0.3
4
8
133.52
6
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(5R,8R,9R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
947.20
2.4
12
18
298.14
13
cyclo[Ile-Met-Leu-Val-Phe-Pro-Leu-Phe]
961.30
7
7
9
249.31
14
cyclo[Leu-Met-Pro-Phe-Phe-Trp-Val-Met]
1052.40
6.7
8
10
290.4
15
cyclo[Ile-Met-Leu-Met-Pro-Phe-Phe-Trp]
1066.40
7.1
8
10
290.4
16
5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-1-oxidopiperidin-1-ium-4-yl]-2-methylchromen-4-one
321.32
0.8
3
6
113.96
1
Pandamarilactone 1
317.40
2.9
0
5
55.84
4
Kaempferol 7-O-rutinoside
594.50
-0.9
9
15
249.2
6
(1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2,2-dimethyl-1H-isoquinolin-2-ium-7-ol
312.40
3.2
2
3
49.69
3
(6aS)-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-4-one
356.40
2.3
2
5
75.99
2
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