MMsINC Database Search


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MMsINC code: MMs02216416

Type: Neutral
Formula: C₁₅H₁₅ClN₂O₃

SMILES:

Clc1cc(OC)c(NC(=O)Nc2ccc(OC)cc2)cc1

InChI:

InChI=1/C15H15ClN2O3/c1-20-12-6-4-11(5-7-12)17-15(19)18-13-8-3-10(16)9-14(13)21-2/h3-9H,1-2H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.9344 kcal/mol

Physical Properties
Molecular Weight: 306.749 g/mol	logS: -4.0871	SlogP: 4.0012	Reactive groups: 0

Topological Properties
Globularity: 0.029895	Sterimol/B1: 2.95069	Sterimol/B2: 3.48293	Sterimol/B3: 4.7914
Sterimol/B4: 4.8526	Sterimol/L: 17.538

Surface and Volume Properties
Accessible surface: 545.699	Positive charged surface: 347.992	Negative charged surface: 197.707	Volume: 276.75
Hydrophobic surface: 473.851	Hydrophilic surface: 71.848

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.