MMsINC Database Search


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MMsINC code: MMs00601474

Type: Neutral
Formula: C₁₄H₁₂ClNO₂

SMILES:

Clc1ccc(cc1)C(=O)Nc1ccc(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6777 kcal/mol

Physical Properties
Molecular Weight: 261.708 g/mol	logS: -4.13954	SlogP: 3.6009	Reactive groups: 0

Topological Properties
Globularity: 0.0161215	Sterimol/B1: 2.5114	Sterimol/B2: 2.77938	Sterimol/B3: 2.90244
Sterimol/B4: 5.03376	Sterimol/L: 17.4064

Surface and Volume Properties
Accessible surface: 482.264	Positive charged surface: 257.19	Negative charged surface: 225.074	Volume: 240.625
Hydrophobic surface: 435.638	Hydrophilic surface: 46.626

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.