NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.99
Van der Waals volume 468.49
Polar Surface Area 116.45
Van der Waals Surface Area 729.96
Refractivity 145.51

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ELEMENTAL PROPERTIESExact Mass 506.23
Isotope Formula C30H34O7
Dot Disconnected Formula C30H34O7
Dot Disconnected Isotope Formula C30H34O7
Composition C (71.13%), H (6.76%), O (22.11%)
Isotope Composition C (71.13%), H (6.76%), O (22.11%)
Donor Sites 4
Donor Count 4
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count71
Aliphatic Atom Count 21
Aliphatic Bond Count 23
Aromatic Bond Count 17
Asymmetric Atom Count 1
Bond Count 74
Chain Atom Count 18
Chain Bond Count 19
Chiral Center Count 1
Ring Atom Count 19
Ring Bond Count 21
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 1
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 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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