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MMsINC code: MMs03148307

Type: Neutral
Formula: C₂₀H₁₈ClN

SMILES:

Clc1ccc(cc1)CNC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H18ClN/c21-19-13-11-16(12-14-19)15-22-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20,22H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.949 kcal/mol

Physical Properties
Molecular Weight: 307.824 g/mol	logS: -5.39547	SlogP: 5.5811	Reactive groups: 0

Topological Properties
Globularity: 0.1683	Sterimol/B1: 2.24218	Sterimol/B2: 3.3127	Sterimol/B3: 4.53361
Sterimol/B4: 9.31379	Sterimol/L: 14.8969

Surface and Volume Properties
Accessible surface: 577.338	Positive charged surface: 287.623	Negative charged surface: 289.716	Volume: 311.5
Hydrophobic surface: 565.363	Hydrophilic surface: 11.975

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs03148308
PUBCHEM-ZINC04657414