MMsINC Database Search


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MMsINC code: MMs00197827

Type: Neutral
Formula: C₂₁H₁₈ClNO₂

SMILES:

Clc1cc(C(=O)NC(c2ccccc2)c2ccccc2)c(OC)cc1

InChI:

InChI=1/C21H18ClNO2/c1-25-19-13-12-17(22)14-18(19)21(24)23-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20H,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.1333 kcal/mol

Physical Properties
Molecular Weight: 351.833 g/mol	logS: -5.85148	SlogP: 4.9635	Reactive groups: 0

Topological Properties
Globularity: 0.182815	Sterimol/B1: 2.47627	Sterimol/B2: 4.53235	Sterimol/B3: 6.42947
Sterimol/B4: 7.02644	Sterimol/L: 13.9605

Surface and Volume Properties
Accessible surface: 610.701	Positive charged surface: 332.848	Negative charged surface: 277.853	Volume: 337.75
Hydrophobic surface: 582.588	Hydrophilic surface: 28.113

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.