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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,7R,10R,11S,15S,18R,23S)-11-methyl-5-oxa-13-azahexacyclo[11.9.1.01,7.07,15.010,23.018,22]tricos-21-en-4-one
341.50
3.5
0
3
29.54
0
(E)-14-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]-2-[10-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]decyl]tetradec-2-enal
576.90
10.1
4
5
81.59
24
methyl (1S,14S,15Z,18S)-18-(acetyloxymethyl)-15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
424.50
2.1
1
6
88.7
5
(1S,2S,4S,7R,8S,11R)-6-ethyl-6',11-dihydroxy-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
358.40
-0.1
2
6
91.59
2
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxynaphthalen-1-yl)oxyoxane-3,4,5-triol
322.31
0.4
5
7
119.61
3
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-1-yl]oxyoxane-3,4,5-triol
500.40
-1.5
9
13
218.99
6
(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-benzodioxol-5-yl]methyl]oxolan-2-one
532.50
1.5
4
12
162.6
7
(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[[6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1,3-benzodioxol-5-yl]methyl]oxolan-2-one
664.60
0
6
16
221.52
10
Cyclolaudenol
440.70
10.4
1
1
20.23
5
(2s)-1-(1h-Indol-3-Yl)-3-{[5-(3-Methyl-1h-Indazol-5-Yl)pyridin-3-Yl]oxy}propan-2-Amine
397.50
3.7
3
4
92.61
6
(2S)-4-[(Z,13R,14R)-13,14-dihydroxytriacont-17-enyl]-2-methyl-2H-uran-5-one
548.90
12.8
2
4
66.76
28
D-Lysergic acid amide
267.33
1.6
2
2
62.12
1
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] octadecanoate
446.70
10.3
1
4
55.76
21
(2S,3S,4aS,6R,7S,8S,8aR)-2-(4-hydroxy-3-methoxyphenyl)-3,6-bis(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol
358.34
-1.2
5
9
138.07
4
methyl (1R,9S,12R,13Z)-13-ethylidene-4-oxo-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,5,7-triene-18-carboxylate
338.40
0.6
0
5
58.97
2
(1R,12R,13R,16S,17S,18R)-17-(hydroxymethyl)-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-ol
356.50
1.2
2
4
57.86
1
1-[(1R,12R,13R,14S)-13-(hydroxymethyl)-3,16-dimethyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-14-yl]propan-2-one
326.40
1.6
1
3
45.47
3
(1R,2S,7S,9R,10S)-6-acetyl-2-hydroxy-1'-methylspiro[4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-ene-10,3'-indole]-2'-one
354.40
-0.3
2
5
78.87
1
(1R,2S,7S,9R,10S)-2-hydroxy-1',5-dimethyl-2'-oxospiro[4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-ene-10,3'-indole]-6-carbaldehyde
354.40
-0.1
2
5
78.87
1
(1R,12R,13R,18R)-6-methoxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaene-17-carbaldehyde
366.50
2.3
0
4
43.7
2
(1R,12R,13R,18R)-6-methoxy-3,16,20-trimethyl-11-oxo-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaene-17-carbaldehyde
380.40
1.8
0
5
60.77
2
(1R,12R,13R,18R)-17-acetyl-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-11-one
380.40
1.6
0
5
60.77
2
beta-Patchoulene
204.35
4.3
0
0
0
0
(1R,2R,3R,6S,8S,10R,12R)-12-hydroxy-3,8-dimethyl-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione
294.30
0.3
1
6
85.36
0
(1R,2R,3R,6S,8S,10R,11R,12R)-11,12-dihydroxy-3,8-dimethyl-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione
310.30
-0.6
2
7
105.59
0
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