MMsINC Database Search


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MMsINC code: MMs00266149

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1C(=O)NCCc1c2c([nH]c1)cc(OC)cc2

InChI:

InChI=1/C18H16Cl2N2O2/c1-24-13-3-5-14-11(10-22-17(14)9-13)6-7-21-18(23)15-4-2-12(19)8-16(15)20/h2-5,8-10,22H,6-7H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9018 kcal/mol

Physical Properties
Molecular Weight: 363.244 g/mol	logS: -5.16924	SlogP: 4.45577	Reactive groups: 0

Topological Properties
Globularity: 0.052925	Sterimol/B1: 2.03371	Sterimol/B2: 3.76964	Sterimol/B3: 5.06086
Sterimol/B4: 7.77467	Sterimol/L: 19.4088

Surface and Volume Properties
Accessible surface: 614.245	Positive charged surface: 326.78	Negative charged surface: 282.048	Volume: 323.25
Hydrophobic surface: 523.256	Hydrophilic surface: 90.989

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.