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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.59
Van der Waals volume 312.41
Polar Surface Area 68.29
Van der Waals Surface Area 503.17
Refractivity 88.49

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ELEMENTAL PROPERTIESExact Mass 334.178
Isotope Formula C19H26O5
Dot Disconnected Formula C19H26O5
Dot Disconnected Isotope Formula C19H26O5
Composition C (68.24%), H (7.84%), O (23.92%)
Isotope Composition C (68.24%), H (7.84%), O (23.92%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count50
Aliphatic Atom Count 24
Aliphatic Bond Count 27
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 53
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 7
Ring Atom Count 14
Ring Bond Count 17
Rotatable Bond Count 3
Stereo Double Bond Count 1
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 3
Smallest Ring System Size 4

 






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