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MMsINC code: MMs00096911

Type: Neutral
Formula: C₁₉H₂₁ClN₂O₂

SMILES:

Clc1cc(ccc1)C(=O)N1CCN(CC1)Cc1ccccc1OC

InChI:

InChI=1/C19H21ClN2O2/c1-24-18-8-3-2-5-16(18)14-21-9-11-22(12-10-21)19(23)15-6-4-7-17(20)13-15/h2-8,13H,9-12,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.644 kcal/mol

Physical Properties
Molecular Weight: 344.842 g/mol	logS: -4.02432	SlogP: 3.573	Reactive groups: 0

Topological Properties
Globularity: 0.123817	Sterimol/B1: 2.64939	Sterimol/B2: 3.91461	Sterimol/B3: 5.83211
Sterimol/B4: 6.08838	Sterimol/L: 15.5354

Surface and Volume Properties
Accessible surface: 599.586	Positive charged surface: 384.522	Negative charged surface: 215.064	Volume: 328
Hydrophobic surface: 559.559	Hydrophilic surface: 40.027

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00096912
ASINEX-ZINC00239827