NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.39
Van der Waals volume 482.95
Polar Surface Area 88.13
Van der Waals Surface Area 772.04
Refractivity 137.5

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ELEMENTAL PROPERTIESExact Mass 512.277
Isotope Formula C30H40O7
Dot Disconnected Formula C30H40O7
Dot Disconnected Isotope Formula C30H40O7
Composition C (70.29%), H (7.86%), O (21.85%)
Isotope Composition C (70.29%), H (7.86%), O (21.85%)
Donor Sites 0
Donor Count 0
Acceptor Sites 8
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count77
Aliphatic Atom Count 37
Aliphatic Bond Count 42
Aromatic Bond Count 0
Asymmetric Atom Count 12
Bond Count 82
Chain Atom Count 12
Chain Bond Count 13
Chiral Center Count 12
Ring Atom Count 25
Ring Bond Count 29
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.