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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.97
Van der Waals volume 555.52
Polar Surface Area 234.29
Van der Waals Surface Area 865.2
Refractivity 152.89

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ELEMENTAL PROPERTIESExact Mass 638.221
Isotope Formula C30H38O15
Dot Disconnected Formula C30H38O15
Dot Disconnected Isotope Formula C30H38O15
Composition C (56.42%), H (6%), O (37.58%)
Isotope Composition C (56.42%), H (6%), O (37.58%)
Donor Sites 8
Donor Count 8
Acceptor Sites 15
Acceptor Count 14


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TOPOLOGICAL PROPERTIESAtom Count83
Aliphatic Atom Count 33
Aliphatic Bond Count 36
Aromatic Bond Count 12
Asymmetric Atom Count 10
Bond Count 86
Chain Atom Count 21
Chain Bond Count 24
Chiral Center Count 10
Ring Atom Count 24
Ring Bond Count 24
Rotatable Bond Count 12
Stereo Double Bond Count 1
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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