MMsINC Database Search


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MMsINC code: MMs01042281

Type: Neutral
Formula: C₁₅H₁₅ClN₂O₂

SMILES:

Clc1ccc(NC(=O)c2c(C)c([nH]c2C)C(=O)C)cc1

InChI:

InChI=1/C15H15ClN2O2/c1-8-13(9(2)17-14(8)10(3)19)15(20)18-12-6-4-11(16)5-7-12/h4-7,17H,1-3H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9578 kcal/mol

Physical Properties
Molecular Weight: 290.75 g/mol	logS: -3.47143	SlogP: 3.73984	Reactive groups: 0

Topological Properties
Globularity: 0.0571612	Sterimol/B1: 2.03496	Sterimol/B2: 2.60927	Sterimol/B3: 4.05785
Sterimol/B4: 7.04625	Sterimol/L: 16.9535

Surface and Volume Properties
Accessible surface: 524.865	Positive charged surface: 263.318	Negative charged surface: 261.547	Volume: 269
Hydrophobic surface: 432.302	Hydrophilic surface: 92.563

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.