MMsINC Database Search


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MMsINC code: MMs02155167

Type: Neutral
Formula: C₁₈H₁₂Cl₂N₂O₂

SMILES:

Clc1ccccc1C(=O)Nc1cccnc1Oc1ccc(Cl)cc1

InChI:

InChI=1/C18H12Cl2N2O2/c19-12-7-9-13(10-8-12)24-18-16(6-3-11-21-18)22-17(23)14-4-1-2-5-15(14)20/h1-11H,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.289 kcal/mol

Physical Properties
Molecular Weight: 359.212 g/mol	logS: -5.65928	SlogP: 5.433	Reactive groups: 0

Topological Properties
Globularity: 0.0491729	Sterimol/B1: 2.49763	Sterimol/B2: 2.90764	Sterimol/B3: 4.1015
Sterimol/B4: 8.34821	Sterimol/L: 17.4008

Surface and Volume Properties
Accessible surface: 587.014	Positive charged surface: 279.522	Negative charged surface: 307.492	Volume: 310.5
Hydrophobic surface: 554.101	Hydrophilic surface: 32.913

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.