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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.29
Van der Waals volume 483.45
Polar Surface Area 225.06
Van der Waals Surface Area 730.34
Refractivity 135.93

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ELEMENTAL PROPERTIESExact Mass 578.164
Isotope Formula C27H30O14
Dot Disconnected Formula C27H30O14
Dot Disconnected Isotope Formula C27H30O14
Composition C (56.06%), H (5.23%), O (38.72%)
Isotope Composition C (56.06%), H (5.23%), O (38.72%)
Donor Sites 8
Donor Count 8
Acceptor Sites 15
Acceptor Count 14


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TOPOLOGICAL PROPERTIESAtom Count71
Aliphatic Atom Count 25
Aliphatic Bond Count 28
Aromatic Bond Count 17
Asymmetric Atom Count 10
Bond Count 75
Chain Atom Count 13
Chain Bond Count 16
Chiral Center Count 10
Ring Atom Count 28
Ring Bond Count 29
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 3
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 1

 






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