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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.6
Van der Waals volume 635.98
Polar Surface Area 104.06
Van der Waals Surface Area 1022.5
Refractivity 180.01

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ELEMENTAL PROPERTIESExact Mass 632.408
Isotope Formula C40H56O6
Dot Disconnected Formula C40H56O6
Dot Disconnected Isotope Formula C40H56O6
Composition C (75.91%), H (8.92%), O (15.17%)
Isotope Composition C (75.91%), H (8.92%), O (15.17%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count102
Aliphatic Atom Count 40
Aliphatic Bond Count 45
Aromatic Bond Count 6
Asymmetric Atom Count 11
Bond Count 107
Chain Atom Count 19
Chain Bond Count 20
Chiral Center Count 11
Ring Atom Count 27
Ring Bond Count 31
Rotatable Bond Count 6
Stereo Double Bond Count 1
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 6
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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