MMsINC Database Search


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MMsINC code: MMs00185527

Type: Neutral
Formula: C₁₈H₁₄Cl₂N₂O₃

SMILES:

Clc1cc(Cl)ccc1OCC(=O)Nc1cc(OC)cc2c1nccc2

InChI:

InChI=1/C18H14Cl2N2O3/c1-24-13-7-11-3-2-6-21-18(11)15(9-13)22-17(23)10-25-16-5-4-12(19)8-14(16)20/h2-9H,10H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.786 kcal/mol

Physical Properties
Molecular Weight: 377.227 g/mol	logS: -5.53919	SlogP: 4.5677	Reactive groups: 0

Topological Properties
Globularity: 0.0116185	Sterimol/B1: 2.4308	Sterimol/B2: 2.56988	Sterimol/B3: 3.44379
Sterimol/B4: 9.20086	Sterimol/L: 18.3932

Surface and Volume Properties
Accessible surface: 619.346	Positive charged surface: 335.063	Negative charged surface: 278.748	Volume: 325
Hydrophobic surface: 547.037	Hydrophilic surface: 72.309

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.