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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.09
Van der Waals volume 432.58
Polar Surface Area 173.98
Van der Waals Surface Area 622.79
Refractivity 144.91

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ELEMENTAL PROPERTIESExact Mass 538.09
Isotope Formula C30H18O10
Dot Disconnected Formula C30H18O10
Dot Disconnected Isotope Formula C30H18O10
Composition C (66.92%), H (3.37%), O (29.71%)
Isotope Composition C (66.92%), H (3.37%), O (29.71%)
Donor Sites 6
Donor Count 6
Acceptor Sites 12
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count58
Aliphatic Atom Count 8
Aliphatic Bond Count 11
Aromatic Bond Count 34
Asymmetric Atom Count 0
Bond Count 63
Chain Atom Count 8
Chain Bond Count 11
Chiral Center Count 0
Ring Atom Count 32
Ring Bond Count 34
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 6
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 4
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 2
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






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