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MMsINC code: MMs02732957

Type: Neutral
Formula: C₁₉H₁₉Cl₂NO₂

SMILES:

Clc1ccc(cc1)C1(O)CCN(CC1C(=O)c1ccc(Cl)cc1)C

InChI:

InChI=1/C19H19Cl2NO2/c1-22-11-10-19(24,14-4-8-16(21)9-5-14)17(12-22)18(23)13-2-6-15(20)7-3-13/h2-9,17,24H,10-12H2,1H3/t17-,19+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.1114 kcal/mol

Physical Properties
Molecular Weight: 364.272 g/mol	logS: -4.72871	SlogP: 4.3271	Reactive groups: 0

Topological Properties
Globularity: 0.186579	Sterimol/B1: 2.15536	Sterimol/B2: 3.23765	Sterimol/B3: 4.19535
Sterimol/B4: 11.6672	Sterimol/L: 13.8786

Surface and Volume Properties
Accessible surface: 576.54	Positive charged surface: 304.503	Negative charged surface: 272.038	Volume: 331.5
Hydrophobic surface: 534.69	Hydrophilic surface: 41.85

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs02732958
PUBCHEM-ZINC00720910