MMsINC Database Search


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MMsINC code: MMs01465732

Type: Neutral
Formula: C₁₆H₁₆ClNO₃

SMILES:

Clc1cc(cc(OC)c1OC)C(=O)NCc1ccccc1

InChI:

InChI=1/C16H16ClNO3/c1-20-14-9-12(8-13(17)15(14)21-2)16(19)18-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8309 kcal/mol

Physical Properties
Molecular Weight: 305.761 g/mol	logS: -4.13396	SlogP: 3.5536	Reactive groups: 0

Topological Properties
Globularity: 0.0516949	Sterimol/B1: 2.01292	Sterimol/B2: 3.61287	Sterimol/B3: 3.70718
Sterimol/B4: 7.71022	Sterimol/L: 15.8108

Surface and Volume Properties
Accessible surface: 557.628	Positive charged surface: 346.913	Negative charged surface: 210.714	Volume: 285.125
Hydrophobic surface: 496.848	Hydrophilic surface: 60.78

Pharmacophoric Properties
Hydrogen bond donors: 1	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.