MMsINC Database Search


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MMsINC code: MMs00672329

Type: Neutral
Formula: C₁₉H₁₅Cl₂FN₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NCCc1ccc(F)cc1

InChI:

InChI=1/C19H15Cl2FN2O2/c1-11-16(18(24-26-11)17-14(20)3-2-4-15(17)21)19(25)23-10-9-12-5-7-13(22)8-6-12/h2-8H,9-10H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7353 kcal/mol

Physical Properties
Molecular Weight: 393.245 g/mol	logS: -6.47886	SlogP: 5.06839	Reactive groups: 0

Topological Properties
Globularity: 0.0828251	Sterimol/B1: 2.24555	Sterimol/B2: 4.4833	Sterimol/B3: 4.85241
Sterimol/B4: 10.2912	Sterimol/L: 15.2794

Surface and Volume Properties
Accessible surface: 623.863	Positive charged surface: 280.304	Negative charged surface: 343.559	Volume: 335.625
Hydrophobic surface: 580.177	Hydrophilic surface: 43.686

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.