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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
(7-Acetyloxy-9,18-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl) acetate
434.50
2.1
2
7
102.29
4
Ponicidin
362.40
0.6
3
6
96.22
0
[(Z)-hex-3-enyl] (2R)-2-methylbutanoate
184.27
3.3
0
2
26.3
7
Mintsulfide
236.40
4.6
0
1
25.3
1
(2Z)-2-[(3R,4S,5S,6R,10S)-3-[(3E,5E)-6,10-dimethylundeca-1,3,5,9-tetraen-2-yl]-4,10-dihydroxy-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal
470.70
5.5
3
4
77.76
10
Pygmaeocin B
310.40
2.9
0
3
51.21
1
Pygmaeocin C
312.40
4.2
2
3
57.53
1
Epioxylubimin
252.35
2.4
2
3
57.53
2
11b,13-Dihydrolactucopicrin
412.40
1.2
2
7
110.13
5
11beta,13-Dihydrolactucopicrin
412.40
1.2
2
7
110.13
5
3-Hydroxy-beta-ionol
210.31
1.5
2
2
40.46
2
Sinensetin
372.40
3
0
7
76.36
6
6-hydroxy-2',5-dimethoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,4'-cyclohex-2-ene]-1'-one
343.40
2.5
1
5
59
2
Methyl hippurate
193.20
0.8
1
3
55.4
4
3,7,7-Trimethylbicyclo[4.1.0]hept-1-ene
136.23
3
0
0
0
0
(6aR,6bR,8aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol
426.70
9.1
1
1
20.23
0
(1S,4aS,5S,7S,7aR)-1,4a,5,6,7,7a-Hexahydro-4a,5,7-trihydroxy-7-methylcyclopenta[c]pyran-1-yl beta-D-glucopyranoside
364.34
-3.3
7
10
169.3
3
(2r,3r)-(-)-3,5-Dihydroxy-6,7-dimethoxyflavanone
316.30
2.5
2
6
85.22
3
Anhydrosafflor yellow B
1044.90
-5.1
19
26
480.34
14
1H-Indole-3-ethanamine, 7-chloro-
194.66
2
2
1
41.81
2
4-((2S,3S)-4-(3,4-Dimethoxyphenyl)-2,3-dimethylbutyl)-2-methoxyphenol
344.40
5.3
1
4
47.92
8
Rel-(5R,6R,7S,8S)-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydro-5,8-epoxybenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole
414.40
3.9
0
7
64.61
4
GnetifolinC
528.50
4.6
6
8
139.84
3
Cassyformin
372.40
1.7
3
7
105.45
6
Kadsuralignan A
402.40
3.7
2
7
86.61
3
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