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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.2
Van der Waals volume 643.97
Polar Surface Area 128.84
Van der Waals Surface Area 1056.82
Refractivity 175.36

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ELEMENTAL PROPERTIESExact Mass 634.444
Isotope Formula C37H62O8
Dot Disconnected Formula C37H62O8
Dot Disconnected Isotope Formula C37H62O8
Composition C (70%), H (9.84%), O (20.16%)
Isotope Composition C (70%), H (9.84%), O (20.16%)
Donor Sites 5
Donor Count 5
Acceptor Sites 8
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count107
Aliphatic Atom Count 45
Aliphatic Bond Count 49
Aromatic Bond Count 0
Asymmetric Atom Count 14
Bond Count 111
Chain Atom Count 22
Chain Bond Count 23
Chiral Center Count 14
Ring Atom Count 23
Ring Bond Count 26
Rotatable Bond Count 8
Stereo Double Bond Count 1
Aliphatic Ring Count 5
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 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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