MMsINC Database Search


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MMsINC code: MMs02703446

Type: Neutral
Formula: C₂₃H₂₇NO₂

SMILES:

O(CCn1cc(c2c1cccc2)C(=O)CC)c1cc(ccc1C(C)C)C

InChI:

InChI=1/C23H27NO2/c1-5-22(25)20-15-24(21-9-7-6-8-19(20)21)12-13-26-23-14-17(4)10-11-18(23)16(2)3/h6-11,14-16H,5,12-13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.651 kcal/mol

Physical Properties
Molecular Weight: 349.474 g/mol	logS: -5.59238	SlogP: 6.01122	Reactive groups: 0

Topological Properties
Globularity: 0.169832	Sterimol/B1: 2.56602	Sterimol/B2: 4.70076	Sterimol/B3: 5.83842
Sterimol/B4: 9.36926	Sterimol/L: 16.531

Surface and Volume Properties
Accessible surface: 680.271	Positive charged surface: 434.651	Negative charged surface: 239.081	Volume: 371.75
Hydrophobic surface: 579.642	Hydrophilic surface: 100.629

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.