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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.21
Van der Waals volume 556.35
Polar Surface Area 141.36
Van der Waals Surface Area 901.45
Refractivity 150.8

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ELEMENTAL PROPERTIESExact Mass 562.351
Isotope Formula C32H50O8
Dot Disconnected Formula C32H50O8
Dot Disconnected Isotope Formula C32H50O8
Composition C (68.3%), H (8.96%), O (22.75%)
Isotope Composition C (68.3%), H (8.96%), O (22.75%)
Donor Sites 4
Donor Count 4
Acceptor Sites 10
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count90
Aliphatic Atom Count 40
Aliphatic Bond Count 43
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 93
Chain Atom Count 23
Chain Bond Count 23
Chiral Center Count 10
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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