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MMsINC code: MMs03043664

Type: Neutral
Formula: C₂₃H₂₂ClNO₂

SMILES:

Clc1cc(OC)ccc1C1NCCc2c1ccc(OCc1ccccc1)c2

InChI:

InChI=1/C23H22ClNO2/c1-26-18-7-10-21(22(24)14-18)23-20-9-8-19(13-17(20)11-12-25-23)27-15-16-5-3-2-4-6-16/h2-10,13-14,23,25H,11-12,15H2,1H3/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.504 kcal/mol

Physical Properties
Molecular Weight: 379.887 g/mol	logS: -5.6801	SlogP: 5.52457	Reactive groups: 0

Topological Properties
Globularity: 0.0687146	Sterimol/B1: 2.28141	Sterimol/B2: 3.88237	Sterimol/B3: 4.79852
Sterimol/B4: 10.2496	Sterimol/L: 17.8715

Surface and Volume Properties
Accessible surface: 650.932	Positive charged surface: 398.591	Negative charged surface: 252.342	Volume: 365.5
Hydrophobic surface: 616.523	Hydrophilic surface: 34.409

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03043665
PUBCHEM-ZINC03690487