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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.61
Van der Waals volume 647.66
Polar Surface Area 180.81
Van der Waals Surface Area 1010.96
Refractivity 173.66

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ELEMENTAL PROPERTIESExact Mass 732.299
Isotope Formula C37H48O15
Dot Disconnected Formula C37H48O15
Dot Disconnected Isotope Formula C37H48O15
Composition C (60.65%), H (6.6%), O (32.75%)
Isotope Composition C (60.65%), H (6.6%), O (32.75%)
Donor Sites 1
Donor Count 1
Acceptor Sites 15
Acceptor Count 11


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TOPOLOGICAL PROPERTIESAtom Count100
Aliphatic Atom Count 52
Aliphatic Bond Count 59
Aromatic Bond Count 0
Asymmetric Atom Count 16
Bond Count 107
Chain Atom Count 25
Chain Bond Count 25
Chiral Center Count 16
Ring Atom Count 27
Ring Bond Count 34
Rotatable Bond Count 10
Stereo Double Bond Count 1
Aliphatic Ring Count 8
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 8
Fused Aromatic Ring Count 0
Fused Ring Count 8
Hetero Ring Count 5
Heteroaliphatic Ring Count 5
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 8
Ring Count 8
Smallest Ring Size 5
Smallest Ring System Size 8

 






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