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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.22
Van der Waals volume 732.14
Polar Surface Area 203.06
Van der Waals Surface Area 1172.4
Refractivity 193.27

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ELEMENTAL PROPERTIESExact Mass 780.43
Isotope Formula C41H64O14
Dot Disconnected Formula C41H64O14
Dot Disconnected Isotope Formula C41H64O14
Composition C (63.06%), H (8.26%), O (28.68%)
Isotope Composition C (63.06%), H (8.26%), O (28.68%)
Donor Sites 6
Donor Count 6
Acceptor Sites 14
Acceptor Count 13


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TOPOLOGICAL PROPERTIESAtom Count119
Aliphatic Atom Count 55
Aliphatic Bond Count 62
Aromatic Bond Count 0
Asymmetric Atom Count 21
Bond Count 126
Chain Atom Count 15
Chain Bond Count 19
Chiral Center Count 21
Ring Atom Count 40
Ring Bond Count 43
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 8
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 8
Smallest Ring Size 5
Smallest Ring System Size 1

 






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