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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.24
Van der Waals volume 359.96
Polar Surface Area 133.52
Van der Waals Surface Area 557.47
Refractivity 97.17

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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 4
Donor Count 4
Acceptor Sites 8
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count56
Aliphatic Atom Count 28
Aliphatic Bond Count 30
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 58
Chain Atom Count 15
Chain Bond Count 15
Chiral Center Count 8
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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