MMsINC Database Search


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MMsINC code: MMs03435794

Type: Neutral
Formula: C₂₀H₁₇ClN₂O₂

SMILES:

Clc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1

InChI:

InChI=1/C20H17ClN2O2/c21-16-6-8-17(9-7-16)22-20(24)23-18-10-12-19(13-11-18)25-14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1613 kcal/mol

Physical Properties
Molecular Weight: 352.821 g/mol	logS: -5.80462	SlogP: 5.8294	Reactive groups: 0

Topological Properties
Globularity: 0.0258604	Sterimol/B1: 3.07364	Sterimol/B2: 3.54591	Sterimol/B3: 3.60281
Sterimol/B4: 5.24642	Sterimol/L: 21.3011

Surface and Volume Properties
Accessible surface: 635.185	Positive charged surface: 328.364	Negative charged surface: 306.822	Volume: 332
Hydrophobic surface: 565.983	Hydrophilic surface: 69.202

Pharmacophoric Properties
Hydrogen bond donors: 2	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.