MMsINC Database Search


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MMsINC code: MMs00600013

Type: Neutral
Formula: C₂₀H₁₇ClN₂O

SMILES:

Clc1cc(NC(=O)NC(c2ccccc2)c2ccccc2)ccc1

InChI:

InChI=1/C20H17ClN2O/c21-17-12-7-13-18(14-17)22-20(24)23-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H,(H2,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5183 kcal/mol

Physical Properties
Molecular Weight: 336.822 g/mol	logS: -5.69828	SlogP: 5.3466	Reactive groups: 0

Topological Properties
Globularity: 0.117606	Sterimol/B1: 2.13849	Sterimol/B2: 3.82992	Sterimol/B3: 4.33694
Sterimol/B4: 9.00628	Sterimol/L: 15.9796

Surface and Volume Properties
Accessible surface: 600.853	Positive charged surface: 292.228	Negative charged surface: 308.626	Volume: 324.375
Hydrophobic surface: 554.995	Hydrophilic surface: 45.858

Pharmacophoric Properties
Hydrogen bond donors: 2	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.