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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.51
Van der Waals volume 978.19
Polar Surface Area 353.9
Van der Waals Surface Area 1544.71
Refractivity 253.13

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ELEMENTAL PROPERTIESExact Mass 1060.55
Isotope Formula C52H84O22
Dot Disconnected Formula C52H84O22
Dot Disconnected Isotope Formula C52H84O22
Composition C (58.85%), H (7.98%), O (33.17%)
Isotope Composition C (58.85%), H (7.98%), O (33.17%)
Donor Sites 13
Donor Count 13
Acceptor Sites 23
Acceptor Count 22


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TOPOLOGICAL PROPERTIESAtom Count158
Aliphatic Atom Count 74
Aliphatic Bond Count 82
Aromatic Bond Count 0
Asymmetric Atom Count 27
Bond Count 166
Chain Atom Count 28
Chain Bond Count 32
Chiral Center Count 27
Ring Atom Count 46
Ring Bond Count 50
Rotatable Bond Count 12
Stereo Double Bond Count 0
Aliphatic Ring Count 9
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 9
Smallest Ring Size 6
Smallest Ring System Size 1

 






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