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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
(1S,2R,4S,5R,10S,14S,17R)-5-[(2R)-2-hydroxy-1-methylsulfonylpropan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadeca-8,12-diene-7,15-dione
424.50
-0.1
1
8
127.88
3
Lupulone C
430.60
4.6
2
5
83.83
8
n-Nonacosan-4-ol-18-one
438.80
11.6
1
2
37.3
26
CID 11213
275.34
1.3
0
4
42.07
0
(20S)-Protopanaxadiol
460.70
7.2
3
3
60.69
4
(inverted exclamation markA)-Hydnocarpin
464.40
3.3
4
9
138.82
4
(E)-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-[formyl(methyl)amino]ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N,3,4-trimethylpent-2-enamide
484.80
7.8
0
2
40.62
5
[(1R,4S,5R,6R)-6-(1,3-benzodioxol-5-yl)-4-pentyl-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
494.70
5.8
0
4
59.08
7
Grandinal
500.50
4.8
5
10
178.66
8
(E,3R,6R)-6-[(1S,4R,5R,7R,8R,9R,10Z,12Z,14S,15R,17S)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.14,7]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid
517.00
0.6
5
10
162.98
5
Javanicolide C
524.60
1
4
11
169.05
5
(21S,22R)-22-methyl-22-oxido-15,29,31-trioxa-7-aza-22-azoniaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),7,10(37),11,13,16,18,25,27,32,35-tridecaene-13,27-diol
548.60
4.6
2
7
103.57
0
Guangsangon N
610.60
4.9
7
10
184.98
5
(2S)-2-azaniumyl-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoate
612.60
-7.8
8
14
377.14
19
5,7-Dihydroxy-2-(3-hydroxy-4-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-3-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
626.50
-1.4
11
17
289.66
7
[(1S,2R,3R,4S,5R,7S,8R,9R,10R,13R,15R)-2-acetyloxy-4-formyl-13-(furan-3-yl)-5-hydroxy-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadec-11-en-7-yl] benzoate
634.70
3.8
1
10
138.57
10
(10R,11R,18R,19R)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),2,5,7,9(27),13,15,17(26),21,23-decaene-7,15,23-triol
676.70
7.5
6
9
152.98
3
Cherimolacyclopeptide C
692.80
1.5
6
7
201.91
4
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis[[(Z)-2-methylbut-2-enoyl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
1125.30
3.7
11
22
347.58
15
Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde
122.16
1.5
0
1
17.07
1
4-(3-Hydroxypropyl)benzene-1,2-diol
168.19
-0.4
3
3
60.69
3
(1R,2R)-1-(4-methoxyphenyl)propane-1,2-diol
182.22
0.8
2
3
49.69
3
Buergerinin G
184.19
0.1
0
4
44.76
0
2-Acetoxy-1,8-cineole, (+)-endo-
212.28
1.8
0
3
35.53
2
4-[(8aS)-7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenol
229.32
2.2
1
2
23.47
1
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