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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.03
Van der Waals volume 662.65
Polar Surface Area 102.29
Van der Waals Surface Area 1065.65
Refractivity 188.18

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ELEMENTAL PROPERTIESExact Mass 662.418
Isotope Formula C41H58O7
Dot Disconnected Formula C41H58O7
Dot Disconnected Isotope Formula C41H58O7
Composition C (74.29%), H (8.82%), O (16.89%)
Isotope Composition C (74.29%), H (8.82%), O (16.89%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count106
Aliphatic Atom Count 42
Aliphatic Bond Count 47
Aromatic Bond Count 6
Asymmetric Atom Count 8
Bond Count 111
Chain Atom Count 20
Chain Bond Count 21
Chiral Center Count 8
Ring Atom Count 28
Ring Bond Count 32
Rotatable Bond Count 8
Stereo Double Bond Count 1
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 6
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






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