MMsINC Database Search


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MMsINC code: MMs02363682

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₃

SMILES:

Clc1ccc(cc1)C(=O)NC(=O)Nc1cc(ccc1OC)C

InChI:

InChI=1/C16H15ClN2O3/c1-10-3-8-14(22-2)13(9-10)18-16(21)19-15(20)11-4-6-12(17)7-5-11/h3-9H,1-2H3,(H2,18,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.7807 kcal/mol

Physical Properties
Molecular Weight: 318.76 g/mol	logS: -4.84199	SlogP: 3.61892	Reactive groups: 0

Topological Properties
Globularity: 0.0139073	Sterimol/B1: 1.97102	Sterimol/B2: 2.27439	Sterimol/B3: 3.05884
Sterimol/B4: 8.88374	Sterimol/L: 17.5026

Surface and Volume Properties
Accessible surface: 562.334	Positive charged surface: 315.857	Negative charged surface: 246.478	Volume: 287.875
Hydrophobic surface: 470.682	Hydrophilic surface: 91.652

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.