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MMsINC code: MMs02940209

Type: Neutral
Formula: C₁₃H₁₇ClN₂O₃

SMILES:

Clc1ccc(cc1)CNC(=O)C(=O)NC(CC)CO

InChI:

InChI=1/C13H17ClN2O3/c1-2-11(8-17)16-13(19)12(18)15-7-9-3-5-10(14)6-4-9/h3-6,11,17H,2,7-8H2,1H3,(H,15,18)(H,16,19)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.8516 kcal/mol

Physical Properties
Molecular Weight: 284.743 g/mol	logS: -2.76431	SlogP: 1.1097	Reactive groups: 0

Topological Properties
Globularity: 0.0588257	Sterimol/B1: 2.42144	Sterimol/B2: 3.38699	Sterimol/B3: 3.55197
Sterimol/B4: 5.9156	Sterimol/L: 16.7848

Surface and Volume Properties
Accessible surface: 533.74	Positive charged surface: 322.903	Negative charged surface: 210.837	Volume: 261.75
Hydrophobic surface: 379.459	Hydrophilic surface: 154.281

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.