MMsINC Database Search


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MMsINC code: MMs00624016

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1ccc(NC(=O)c2ccccc2C)cc1OC

InChI:

InChI=1/C15H14ClNO2/c1-10-5-3-4-6-12(10)15(18)17-11-7-8-13(16)14(9-11)19-2/h3-9H,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.6588 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.61346	SlogP: 3.90932	Reactive groups: 0

Topological Properties
Globularity: 0.0425465	Sterimol/B1: 2.22602	Sterimol/B2: 2.80303	Sterimol/B3: 3.75219
Sterimol/B4: 6.45526	Sterimol/L: 14.7862

Surface and Volume Properties
Accessible surface: 496.191	Positive charged surface: 282.89	Negative charged surface: 213.3	Volume: 256.375
Hydrophobic surface: 467.392	Hydrophilic surface: 28.799

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.