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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.18
Van der Waals volume 396.32
Polar Surface Area 86.99
Van der Waals Surface Area 601.95
Refractivity 123.67

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ELEMENTAL PROPERTIESExact Mass 420.194
Isotope Formula C26H28O5
Dot Disconnected Formula C26H28O5
Dot Disconnected Isotope Formula C26H28O5
Composition C (74.26%), H (6.71%), O (19.02%)
Isotope Composition C (74.26%), H (6.71%), O (19.02%)
Donor Sites 3
Donor Count 3
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count59
Aliphatic Atom Count 15
Aliphatic Bond Count 16
Aromatic Bond Count 17
Asymmetric Atom Count 1
Bond Count 61
Chain Atom Count 15
Chain Bond Count 16
Chiral Center Count 1
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 0
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 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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