MMsINC Database Search


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MMsINC code: MMs02359503

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₃

SMILES:

Clc1cc(NC(=O)Nc2cc(ccc2)C(=O)C)c(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.078 kcal/mol

Physical Properties
Molecular Weight: 318.76 g/mol	logS: -4.34899	SlogP: 4.1952	Reactive groups: 0

Topological Properties
Globularity: 0.0582623	Sterimol/B1: 2.51347	Sterimol/B2: 4.02105	Sterimol/B3: 5.06668
Sterimol/B4: 6.25102	Sterimol/L: 15.4828

Surface and Volume Properties
Accessible surface: 563.938	Positive charged surface: 323.325	Negative charged surface: 240.613	Volume: 287.5
Hydrophobic surface: 460.647	Hydrophilic surface: 103.291

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.