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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.25
Van der Waals volume 424.32
Polar Surface Area 114.68
Van der Waals Surface Area 662.49
Refractivity 129.77

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ELEMENTAL PROPERTIESExact Mass 478.163
Isotope Formula C27H26O8
Dot Disconnected Formula C27H26O8
Dot Disconnected Isotope Formula C27H26O8
Composition C (67.77%), H (5.48%), O (26.75%)
Isotope Composition C (67.77%), H (5.48%), O (26.75%)
Donor Sites 3
Donor Count 3
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count61
Aliphatic Atom Count 17
Aliphatic Bond Count 20
Aromatic Bond Count 18
Asymmetric Atom Count 2
Bond Count 64
Chain Atom Count 12
Chain Bond Count 15
Chiral Center Count 2
Ring Atom Count 23
Ring Bond Count 23
Rotatable Bond Count 8
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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