MMsINC Database Search


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MMsINC code: MMs03778958

Type: Neutral
Formula: C₁₄H₁₂ClNO₂

SMILES:

Clc1ccc(O)c(NC(=O)c2ccccc2)c1C

InChI:

InChI=1/C14H12ClNO2/c1-9-11(15)7-8-12(17)13(9)16-14(18)10-5-3-2-4-6-10/h2-8,17H,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.6556 kcal/mol

Physical Properties
Molecular Weight: 261.708 g/mol	logS: -3.88768	SlogP: 3.60632	Reactive groups: 0

Topological Properties
Globularity: 0.106579	Sterimol/B1: 2.24561	Sterimol/B2: 3.55351	Sterimol/B3: 4.03668
Sterimol/B4: 6.6708	Sterimol/L: 14.2368

Surface and Volume Properties
Accessible surface: 466.596	Positive charged surface: 227.541	Negative charged surface: 239.055	Volume: 238.75
Hydrophobic surface: 391.315	Hydrophilic surface: 75.281

Pharmacophoric Properties
Hydrogen bond donors: 2	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.