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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.6
Van der Waals volume 389.69
Polar Surface Area 125.68
Van der Waals Surface Area 607.99
Refractivity 117.48

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ELEMENTAL PROPERTIESExact Mass 442.163
Isotope Formula C24H26O8
Dot Disconnected Formula C24H26O8
Dot Disconnected Isotope Formula C24H26O8
Composition C (65.15%), H (5.92%), O (28.93%)
Isotope Composition C (65.15%), H (5.92%), O (28.93%)
Donor Sites 4
Donor Count 4
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count58
Aliphatic Atom Count 18
Aliphatic Bond Count 19
Aromatic Bond Count 16
Asymmetric Atom Count 2
Bond Count 61
Chain Atom Count 15
Chain Bond Count 15
Chiral Center Count 2
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 3
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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