MMsINC Database Search


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MMsINC code: MMs02402442

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O₂

SMILES:

Clc1cc(OC)ccc1NC(=O)Nc1cc(Cl)ccc1C

InChI:

InChI=1/C15H14Cl2N2O2/c1-9-3-4-10(16)7-14(9)19-15(20)18-13-6-5-11(21-2)8-12(13)17/h3-8H,1-2H3,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6216 kcal/mol

Physical Properties
Molecular Weight: 325.195 g/mol	logS: -4.93148	SlogP: 4.95442	Reactive groups: 0

Topological Properties
Globularity: 0.030964	Sterimol/B1: 2.52385	Sterimol/B2: 2.62093	Sterimol/B3: 4.2552
Sterimol/B4: 7.7854	Sterimol/L: 16.7766

Surface and Volume Properties
Accessible surface: 548.394	Positive charged surface: 285.097	Negative charged surface: 263.298	Volume: 283.625
Hydrophobic surface: 496.941	Hydrophilic surface: 51.453

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.