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MMsINC code: MMs02168930

Type: Neutral
Formula: C₁₉H₂₀Cl₂N₂O

SMILES:

Clc1cc(ccc1Cl)CN1CCC(NC(=O)c2ccccc2)CC1

InChI:

InChI=1/C19H20Cl2N2O/c20-17-7-6-14(12-18(17)21)13-23-10-8-16(9-11-23)22-19(24)15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.119 kcal/mol

Physical Properties
Molecular Weight: 363.288 g/mol	logS: -5.21776	SlogP: 4.6542	Reactive groups: 0

Topological Properties
Globularity: 0.0837282	Sterimol/B1: 3.31221	Sterimol/B2: 4.47587	Sterimol/B3: 4.61778
Sterimol/B4: 5.45459	Sterimol/L: 18.2757

Surface and Volume Properties
Accessible surface: 616.397	Positive charged surface: 325.885	Negative charged surface: 290.512	Volume: 335.5
Hydrophobic surface: 574.691	Hydrophilic surface: 41.706

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02168931
MAYBRIDGE-ZINC04336809