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MMsINC code: MMs03065873

Type: Neutral
Formula: C₁₉H₂₁ClN₂

SMILES:

Clc1ccc(cc1)-c1[nH]c2c(cc(cc2)C)c1CCCCN

InChI:

InChI=1/C19H21ClN2/c1-13-5-10-18-17(12-13)16(4-2-3-11-21)19(22-18)14-6-8-15(20)9-7-14/h5-10,12,22H,2-4,11,21H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.6058 kcal/mol

Physical Properties
Molecular Weight: 312.844 g/mol	logS: -5.4081	SlogP: 5.07809	Reactive groups: 0

Topological Properties
Globularity: 0.0990358	Sterimol/B1: 3.33197	Sterimol/B2: 3.60041	Sterimol/B3: 5.67245
Sterimol/B4: 6.45153	Sterimol/L: 15.5555

Surface and Volume Properties
Accessible surface: 592.22	Positive charged surface: 353.197	Negative charged surface: 234.525	Volume: 315.125
Hydrophobic surface: 502.34	Hydrophilic surface: 89.88

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03065874
PUBCHEM-ZINC03739594