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MMsINC code: MMs01929741

Type: Neutral
Formula: C₁₅H₁₇ClN₂O₂

SMILES:

Clc1cc2cc([nH]c2cc1)C(=O)N1CC(OC(C1)C)C

InChI:

InChI=1/C15H17ClN2O2/c1-9-7-18(8-10(2)20-9)15(19)14-6-11-5-12(16)3-4-13(11)17-14/h3-6,9-10,17H,7-8H2,1-2H3/t9-,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7922 kcal/mol

Physical Properties
Molecular Weight: 292.766 g/mol	logS: -3.54803	SlogP: 3.0707	Reactive groups: 0

Topological Properties
Globularity: 0.0816525	Sterimol/B1: 1.969	Sterimol/B2: 2.87205	Sterimol/B3: 4.19823
Sterimol/B4: 7.26852	Sterimol/L: 15.2897

Surface and Volume Properties
Accessible surface: 507.749	Positive charged surface: 282.256	Negative charged surface: 220.284	Volume: 269.25
Hydrophobic surface: 408.872	Hydrophilic surface: 98.877

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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: no related molecules available.