MMsINC Database Search


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MMsINC code: MMs02216423

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1cc(C)c(OC(=O)Nc2ccccc2C)cc1

InChI:

InChI=1/C15H14ClNO2/c1-10-5-3-4-6-13(10)17-15(18)19-14-8-7-12(16)9-11(14)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)=67.2076 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.45135	SlogP: 4.56774	Reactive groups: 0

Topological Properties
Globularity: 0.0943737	Sterimol/B1: 2.06332	Sterimol/B2: 3.16381	Sterimol/B3: 4.24618
Sterimol/B4: 6.41268	Sterimol/L: 15.5193

Surface and Volume Properties
Accessible surface: 500.106	Positive charged surface: 253.064	Negative charged surface: 247.042	Volume: 258
Hydrophobic surface: 462.643	Hydrophilic surface: 37.463

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.