MMsINC Database Search


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MMsINC code: MMs00080565

Type: Neutral
Formula: C₁₆H₁₆ClNO₂

SMILES:

Clc1cccc(NC(=O)CCOc2ccccc2)c1C

InChI:

InChI=1/C16H16ClNO2/c1-12-14(17)8-5-9-15(12)18-16(19)10-11-20-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9526 kcal/mol

Physical Properties
Molecular Weight: 289.762 g/mol	logS: -4.20837	SlogP: 4.05602	Reactive groups: 0

Topological Properties
Globularity: 0.0187398	Sterimol/B1: 2.02795	Sterimol/B2: 2.58957	Sterimol/B3: 3.4393
Sterimol/B4: 6.73466	Sterimol/L: 17.8708

Surface and Volume Properties
Accessible surface: 538.745	Positive charged surface: 293.459	Negative charged surface: 245.287	Volume: 274.875
Hydrophobic surface: 498.632	Hydrophilic surface: 40.113

Pharmacophoric Properties
Hydrogen bond donors: 1	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.