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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.52
Van der Waals volume 772.43
Polar Surface Area 221.9
Van der Waals Surface Area 1246.22
Refractivity 203.09

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ELEMENTAL PROPERTIESExact Mass 808.461
Isotope Formula C43H68O14
Dot Disconnected Formula C43H68O14
Dot Disconnected Isotope Formula C43H68O14
Composition C (63.84%), H (8.47%), O (27.69%)
Isotope Composition C (63.84%), H (8.47%), O (27.69%)
Donor Sites 7
Donor Count 7
Acceptor Sites 15
Acceptor Count 13


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TOPOLOGICAL PROPERTIESAtom Count125
Aliphatic Atom Count 57
Aliphatic Bond Count 63
Aromatic Bond Count 0
Asymmetric Atom Count 18
Bond Count 131
Chain Atom Count 23
Chain Bond Count 25
Chiral Center Count 18
Ring Atom Count 34
Ring Bond Count 38
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 7
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 7
Smallest Ring Size 6
Smallest Ring System Size 1

 






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