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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
6-(Hydroxymethyl)-9-methoxyphenazine-1-carboxylic acid
284.27
1.2
2
6
92.54
3
[(1S,4aS,8aR)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
222.37
3.9
1
1
20.23
1
2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol
290.27
0.4
5
6
110.38
1
n-Pentylmalonic acid
174.19
1.5
2
4
74.6
6
Acetylcysteine
163.20
0.4
3
4
105.2
3
Caesalmin B
388.50
2.9
1
6
85.97
2
Ethyl vanillate
196.20
2.1
1
4
55.76
4
Chorismic acid
226.18
0.2
3
6
104.06
4
(1R,2S,6S,9S,10S,11S,14R,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol
415.70
5.5
2
3
43.7
0
(2S,11bS)-2-[(2S)-1-hydroxybut-3-en-2-yl]-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-10-ol
303.40
2.4
2
4
52.93
4
Rhazinal
322.40
2.7
1
2
51.1
2
(4aR,5S,8aR)-5-[2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-1,1,4a,6-tetramethyl-4,5,8,8a-tetrahydro-3H-naphthalen-2-one
440.70
6.9
1
2
37.3
3
Macrophyllilactone E
248.32
2.5
1
3
46.53
1
(1R,4S,8R,10R,11S,12S)-10-hydroxy-7,13,13-trimethyl-4-propan-2-yl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadeca-2(9),6-diene-3,5,17-trione
384.50
2.3
1
5
80.67
1
(1R,4R,8S,10S,11S,12S)-10-hydroxy-7,13,13-trimethyl-4-propan-2-yl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadeca-2(9),6-diene-3,5,17-trione
384.50
2.3
1
5
80.67
1
[(1R,2R,3S,4R,7R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2-hydroxy-3,8,8,17,19-pentamethyl-22-prop-1-en-2-yl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-16-yl] acetate
660.80
4.2
4
10
144.14
5
Assafoetidnol A
398.50
3.8
2
5
79.9
3
(2S)-5-Hydroxy-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
300.30
3
1
5
64.99
3
Spiganthine
509.50
-1.5
8
10
192.93
5
(1R,4Z,6R,7S,11Z)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6,14-dimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
381.40
0.9
2
8
113.37
1
(1S,2S,4S,5S,6S,9S)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
263.37
1.5
1
3
40.54
0
(1S,2S,4R,5R,6S,9S)-5-hydroxy-4-(hydroxymethyl)-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
279.37
0.8
2
4
60.77
1
Arundamine
376.50
3.6
3
3
56.22
7
[(1R,4aS,8R,8aS)-7,8-diformyl-4,4,8a-trimethyl-1,2,3,4a,5,8-hexahydronaphthalen-1-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
410.50
4.3
0
5
69.67
7
Isopropyl isobutyrate
130.18
2
0
2
26.3
3
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