MMsINC Database Search


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MMsINC code: MMs02670405

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₃

SMILES:

Clc1ccc(cc1)CNC(=O)c1ccccc1NC(OC)=O

InChI:

InChI=1/C16H15ClN2O3/c1-22-16(21)19-14-5-3-2-4-13(14)15(20)18-10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.5997 kcal/mol

Physical Properties
Molecular Weight: 318.76 g/mol	logS: -4.31211	SlogP: 3.7147	Reactive groups: 0

Topological Properties
Globularity: 0.0478518	Sterimol/B1: 2.46969	Sterimol/B2: 3.61589	Sterimol/B3: 3.87913
Sterimol/B4: 7.87604	Sterimol/L: 18.1225

Surface and Volume Properties
Accessible surface: 568.812	Positive charged surface: 322.61	Negative charged surface: 246.202	Volume: 289.375
Hydrophobic surface: 478.547	Hydrophilic surface: 90.265

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