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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
(2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,6R,7R,10R,11R,12S,14S)-6,14-dihydroxy-6,11,15,15-tetramethyl-16-oxapentacyclo[8.5.1.14,7.01,12.04,10]heptadecan-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
498.60
0.2
6
9
149.07
3
Asebotoxin VIII
484.60
0.3
5
9
153.75
5
cyclo[Ala-Tyr-Asn-Phe-Gly-Leu]
665.70
0.7
8
8
237.92
8
cyclo[Gly-Pro-Ile-Phe-Phe-Pro]
658.80
3.2
4
6
157.02
6
16-Methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),8,12(20),13,16-hexaene-15,18-dione
337.30
1.7
0
6
65.07
1
16-Methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),8,12(20),13,16-hexaene-15,18-dione
323.30
1.6
1
6
73.86
1
ethyl (10S,11R,12R,13S,14R)-14-(3,4-dimethoxyphenyl)-10,11-dihydroxy-8-methoxy-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxylate
550.60
3.4
2
10
122.14
8
(2R,3R,4S,5S,6R)-2-[(2S,3S)-2,3-dihydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
406.40
-2.2
7
11
178.53
8
[(1S,2R,5R,6R,7R,9R,10S,11S,13R)-2,9,11-triacetyloxy-1,5-dihydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-10-phenylmethoxy-16-oxatricyclo[11.2.1.02,6]hexadecan-7-yl] acetate
674.70
2.1
2
13
181.19
11
methyl 3-[(3S,3aR,5aR,6R,7R,9aR,9bR)-7-(2-hydroxypropan-2-yl)-3-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate
506.80
6.1
2
5
75.99
7
Lepidine B
346.40
3.3
3
4
86.82
6
Lepidine C
360.40
3.6
2
4
75.82
7
Lepidine D
346.40
3.3
3
4
86.82
6
Lepidine E
346.40
3.3
3
4
86.82
6
Lepidine F
346.40
3
4
4
97.82
5
Semilepidinoside A
336.34
0.2
5
7
128.06
5
Semilepidinoside B
366.40
-0.9
5
8
137.29
6
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3,10,13-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
412.70
11.2
0
0
0
6
(1S,3R,5S,7R,9S,11R)-9-benzoyl-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-hydroxypropan-2-yl)-4,4,8,8-tetramethyltetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione
586.80
8.5
1
5
88.51
8
(1S,3S,5S,7R,9S,11R)-9-benzoyl-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,4,8,8-tetramethyl-3-prop-1-en-2-yltetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione
568.80
9.8
0
4
68.28
8
(1S,5S,7R,9S,11R)-9-benzoyl-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,4,8,8-tetramethyltetracyclo[7.3.1.17,11.01,5]tetradecane-3,10,12,13-tetrone
542.70
7.3
0
5
85.35
7
(1S,3S,5R,7R,9S,11R)-9-benzoyl-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-hydroxypropan-2-yl)-4,4,8,8-tetramethyltetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione
586.80
8.5
1
5
88.51
8
(1S,3S,5R,7R,9S,11R)-9-benzoyl-3-(2-hydroxypropan-2-yl)-4,4,8,8-tetramethyl-11-(3-methylbut-2-enyl)tetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione
518.70
6.6
1
5
88.51
5
(1S,5R,7R,9S,11R)-9-benzoyl-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,4,8,8-tetramethyltetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione
528.70
8.8
0
4
68.28
7
5-hydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
756.70
-3.4
13
20
339.35
9
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