MMsINC Database Search


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MMsINC code: MMs00155930

Type: Neutral
Formula: C₁₇H₁₁Cl₂FN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1cc(Cl)c(F)cc1

InChI:

InChI=1/C17H11Cl2FN2O2/c1-9-15(16(22-24-9)11-4-2-3-5-12(11)18)17(23)21-10-6-7-14(20)13(19)8-10/h2-8H,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9307 kcal/mol

Physical Properties
Molecular Weight: 365.191 g/mol	logS: -6.47335	SlogP: 5.34822	Reactive groups: 0

Topological Properties
Globularity: 0.144256	Sterimol/B1: 2.40259	Sterimol/B2: 3.97849	Sterimol/B3: 4.07455
Sterimol/B4: 9.71174	Sterimol/L: 13.5778

Surface and Volume Properties
Accessible surface: 567.139	Positive charged surface: 220.162	Negative charged surface: 346.977	Volume: 303.375
Hydrophobic surface: 518.003	Hydrophilic surface: 49.136

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.