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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.29
Van der Waals volume 477.1
Polar Surface Area 88.13
Van der Waals Surface Area 763.42
Refractivity 131.67

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ELEMENTAL PROPERTIESExact Mass 488.277
Isotope Formula C28H40O7
Dot Disconnected Formula C28H40O7
Dot Disconnected Isotope Formula C28H40O7
Composition C (68.83%), H (8.25%), O (22.92%)
Isotope Composition C (68.83%), H (8.25%), O (22.92%)
Donor Sites 0
Donor Count 0
Acceptor Sites 7
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count75
Aliphatic Atom Count 35
Aliphatic Bond Count 37
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 77
Chain Atom Count 22
Chain Bond Count 22
Chiral Center Count 7
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 10
Stereo Double Bond Count 1
Aliphatic Ring Count 3
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 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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