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MMsINC code: MMs03061274

Type: Neutral
Formula: C₂₃H₂₂ClNO₂

SMILES:

Clc1cc(ccc1OC)C1NCCc2c1ccc(OCc1ccccc1)c2

InChI:

InChI=1/C23H22ClNO2/c1-26-22-10-7-18(14-21(22)24)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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.265 kcal/mol

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

Topological Properties
Globularity: 0.0710064	Sterimol/B1: 2.30185	Sterimol/B2: 3.64624	Sterimol/B3: 5.30519
Sterimol/B4: 10.0661	Sterimol/L: 18.2182

Surface and Volume Properties
Accessible surface: 658.5	Positive charged surface: 397.933	Negative charged surface: 260.567	Volume: 364.75
Hydrophobic surface: 628.459	Hydrophilic surface: 30.041

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

MMs03061275
PUBCHEM-ZINC03731993