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MMsINC code: MMs00700888

Type: Neutral
Formula: C₁₇H₁₇ClN₂O₃

SMILES:

Clc1ccc(OCC(=O)NNC(=O)CCc2ccccc2)cc1

InChI:

InChI=1/C17H17ClN2O3/c18-14-7-9-15(10-8-14)23-12-17(22)20-19-16(21)11-6-13-4-2-1-3-5-13/h1-5,7-10H,6,11-12H2,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.6182 kcal/mol

Physical Properties
Molecular Weight: 332.787 g/mol	logS: -4.3379	SlogP: 2.49897	Reactive groups: 0

Topological Properties
Globularity: 0.0229032	Sterimol/B1: 3.35077	Sterimol/B2: 3.61707	Sterimol/B3: 3.61998
Sterimol/B4: 4.40895	Sterimol/L: 22.2941

Surface and Volume Properties
Accessible surface: 619.077	Positive charged surface: 323.136	Negative charged surface: 295.941	Volume: 307.75
Hydrophobic surface: 498.767	Hydrophilic surface: 120.31

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.