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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.47
Van der Waals volume 467.46
Polar Surface Area 116.45
Van der Waals Surface Area 735.29
Refractivity 144.62

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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 25
Aliphatic Bond Count 28
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 74
Chain Atom Count 20
Chain Bond Count 20
Chiral Center Count 2
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
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.