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MMsINC code: MMs00967629

Type: Neutral
Formula: C₁₈H₁₃Cl₂FN₂O₃

SMILES:

Clc1cc(F)ccc1CNC(=O)Cc1c2cc(Cl)ccc2[nH]c1C(O)=O

InChI:

InChI=1/C18H13Cl2FN2O3/c19-10-2-4-15-12(5-10)13(17(23-15)18(25)26)7-16(24)22-8-9-1-3-11(21)6-14(9)20/h1-6,23H,7-8H2,(H,22,24)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.2568 kcal/mol

Physical Properties
Molecular Weight: 395.217 g/mol	logS: -5.53616	SlogP: 4.43727	Reactive groups: 0

Topological Properties
Globularity: 0.0348628	Sterimol/B1: 3.1928	Sterimol/B2: 3.23686	Sterimol/B3: 4.91347
Sterimol/B4: 7.82163	Sterimol/L: 16.9621

Surface and Volume Properties
Accessible surface: 601.046	Positive charged surface: 273.311	Negative charged surface: 324.373	Volume: 324.25
Hydrophobic surface: 453.046	Hydrophilic surface: 148

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	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

MMs00967630
CHEMDIV-ZINC04920663