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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -1.39
Van der Waals volume 352.72
Polar Surface Area 136.68
Van der Waals Surface Area 539.69
Refractivity 95.14

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ELEMENTAL PROPERTIESExact Mass 396.178
Isotope Formula C20H28O8
Dot Disconnected Formula C20H28O8
Dot Disconnected Isotope Formula C20H28O8
Composition C (60.59%), H (7.12%), O (32.29%)
Isotope Composition C (60.59%), H (7.12%), O (32.29%)
Donor Sites 5
Donor Count 5
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count56
Aliphatic Atom Count 28
Aliphatic Bond Count 32
Aromatic Bond Count 0
Asymmetric Atom Count 12
Bond Count 60
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 12
Ring Atom Count 19
Ring Bond Count 23
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
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 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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