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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.26
Van der Waals volume 408.05
Polar Surface Area 86.99
Van der Waals Surface Area 620.97
Refractivity 131.38

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ELEMENTAL PROPERTIESExact Mass 452.162
Isotope Formula C29H24O5
Dot Disconnected Formula C29H24O5
Dot Disconnected Isotope Formula C29H24O5
Composition C (76.98%), H (5.35%), O (17.68%)
Isotope Composition C (76.98%), H (5.35%), O (17.68%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count58
Aliphatic Atom Count 10
Aliphatic Bond Count 14
Aromatic Bond Count 24
Asymmetric Atom Count 0
Bond Count 62
Chain Atom Count 8
Chain Bond Count 10
Chiral Center Count 0
Ring Atom Count 26
Ring Bond Count 28
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
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 5
Smallest Ring Size 6
Smallest Ring System Size 1

 






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