MMsINC Database Search


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MMsINC code: MMs00583727

Type: Neutral
Formula: C₁₆H₁₆ClNO₂

SMILES:

Clc1cc(C(=O)N(Cc2ccccc2)C)c(OC)cc1

InChI:

InChI=1/C16H16ClNO2/c1-18(11-12-6-4-3-5-7-12)16(19)14-10-13(17)8-9-15(14)20-2/h3-10H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5689 kcal/mol

Physical Properties
Molecular Weight: 289.762 g/mol	logS: -3.97759	SlogP: 3.8872	Reactive groups: 0

Topological Properties
Globularity: 0.0988966	Sterimol/B1: 3.01057	Sterimol/B2: 3.07464	Sterimol/B3: 4.23757
Sterimol/B4: 7.71253	Sterimol/L: 13.4742

Surface and Volume Properties
Accessible surface: 512.683	Positive charged surface: 310.251	Negative charged surface: 202.432	Volume: 276.5
Hydrophobic surface: 480.568	Hydrophilic surface: 32.115

Pharmacophoric Properties
Hydrogen bond donors: 0	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.