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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
Avenanthramide E
313.30
2.9
3
5
95.86
5
[(1R,4S,5S,6S)-4-benzoyloxy-5,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-yl] benzoate
384.40
2.1
3
7
113.29
7
6-Hydroxy-8-chloro-2-(2-phenylethyl) chromone
300.70
4
1
3
50.44
3
(2R,3R,4S,5S,6R)-2-[(1R,2R)-1,5-bis(3,4-dihydroxyphenyl)-1-methoxypent-4-yn-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
492.50
0.3
8
11
189.53
8
Isocephalotaxine
315.40
1.3
1
5
51.16
1
(1S,2S,4S,7R,9S,12R,13S,16S)-4-(furan-3-yl)-12-hydroxy-2,16-dimethyl-13-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylsulfanyl]-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadecane-6,11-dione
598.70
0.4
5
13
210.65
7
(5beta,9R,10alpha)-15,16-Epoxylabda-8(17),13(16),14-trien-19-oic acid
316.40
4.9
1
3
50.44
4
Helioscopinolide A
316.40
3.2
1
3
46.53
0
8-(1H-indol-3-yl)-2-methoxy-6-methylnaphthalene-1,4-dione
317.30
3.7
1
3
59.16
2
(3R,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-6,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
459.60
7.2
3
2
73.99
7
Crotafuran A
320.30
4.5
1
4
51.83
1
methyl 1,6-dihydroxy-9H-carbazole-3-carboxylate
257.24
2.5
3
4
82.55
2
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(5-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate
464.50
-0.4
7
12
235.81
7
(2R,3R,4R,5S)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-3,4,5-triol
325.31
-4.5
8
10
172.1
4
(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-3,5-dihydroxy-2-(hydroxymethyl)piperidin-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
325.31
-3.9
8
10
172.1
4
Romucosine A
325.40
3
1
4
59
2
(6aS)-1,11-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10-diol
327.40
2.2
2
5
62.16
2
3,7,11,15-Tetramethylhexadecan-1-ol
298.50
8.5
1
1
20.23
14
(E)-N-[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-(4-methoxyphenyl)prop-2-enamide
329.30
1.7
4
5
99.02
6
(10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
244.33
1.6
0
2
25.24
0
((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol
288.50
4.9
1
1
20.23
2
(1R,5S,7R)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
602.80
10.3
3
6
111.9
10
(14R)-14-methyl-13-oxa-8-azatricyclo[6.5.3.04,12]hexadeca-1,4(12)-diene-3,16-dione
261.32
1
0
3
50.52
0
(E)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
458.40
-1.5
7
12
195.6
8
(Z)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
458.40
-1.5
7
12
195.6
8
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