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MMsINC code: MMs00516551

Type: Neutral
Formula: C₂₀H₁₇ClN₂O₂

SMILES:

Clc1ccccc1COc1ccc(cc1)C(=O)Nc1nc(ccc1)C

InChI:

InChI=1/C20H17ClN2O2/c1-14-5-4-8-19(22-14)23-20(24)15-9-11-17(12-10-15)25-13-16-6-2-3-7-18(16)21/h2-12H,13H2,1H3,(H,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.1057 kcal/mol

Physical Properties
Molecular Weight: 352.821 g/mol	logS: -5.27395	SlogP: 5.14112	Reactive groups: 0

Topological Properties
Globularity: 0.00284837	Sterimol/B1: 2.31462	Sterimol/B2: 2.50999	Sterimol/B3: 2.58501
Sterimol/B4: 6.7207	Sterimol/L: 20.3567

Surface and Volume Properties
Accessible surface: 627.752	Positive charged surface: 326.17	Negative charged surface: 301.582	Volume: 331.75
Hydrophobic surface: 571.981	Hydrophilic surface: 55.771

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.