MMsINC Database Search


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MMsINC code: MMs02162005

Type: Neutral
Formula: C₂₀H₁₅Cl₂NO₂

SMILES:

Clc1cccc(Oc2ccccc2)c1CNC(=O)c1ccc(Cl)cc1

InChI:

InChI=1/C20H15Cl2NO2/c21-15-11-9-14(10-12-15)20(24)23-13-17-18(22)7-4-8-19(17)25-16-5-2-1-3-6-16/h1-12H,13H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.0052 kcal/mol

Physical Properties
Molecular Weight: 372.251 g/mol	logS: -6.5502	SlogP: 5.9821	Reactive groups: 0

Topological Properties
Globularity: 0.1392	Sterimol/B1: 2.17887	Sterimol/B2: 4.01751	Sterimol/B3: 4.325
Sterimol/B4: 9.11469	Sterimol/L: 15.9337

Surface and Volume Properties
Accessible surface: 615.484	Positive charged surface: 274.231	Negative charged surface: 341.253	Volume: 333.375
Hydrophobic surface: 574.34	Hydrophilic surface: 41.144

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.