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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.58
Van der Waals volume 445.49
Polar Surface Area 116.45
Van der Waals Surface Area 698.78
Refractivity 138.7

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ELEMENTAL PROPERTIESExact Mass 480.215
Isotope Formula C28H32O7
Dot Disconnected Formula C28H32O7
Dot Disconnected Isotope Formula C28H32O7
Composition C (69.98%), H (6.71%), O (23.31%)
Isotope Composition C (69.98%), H (6.71%), O (23.31%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count67
Aliphatic Atom Count 23
Aliphatic Bond Count 25
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 69
Chain Atom Count 20
Chain Bond Count 20
Chiral Center Count 0
Ring Atom Count 15
Ring Bond Count 17
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
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 7
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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