MMsINC Database Search


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MMsINC code: MMs00752743

Type: Neutral
Formula: C₁₄H₆Cl₂FNO₂

SMILES:

Clc1ccc(Cl)cc1N1C(=O)c2c(ccc(F)c2)C1=O

InChI:

InChI=1/C14H6Cl2FNO2/c15-7-1-4-11(16)12(5-7)18-13(19)9-3-2-8(17)6-10(9)14(18)20/h1-6H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1264 kcal/mol

Physical Properties
Molecular Weight: 310.111 g/mol	logS: -5.52215	SlogP: 3.9331	Reactive groups: 0

Topological Properties
Globularity: 0.105509	Sterimol/B1: 3.2846	Sterimol/B2: 4.6217	Sterimol/B3: 4.71051
Sterimol/B4: 4.83373	Sterimol/L: 13.991

Surface and Volume Properties
Accessible surface: 471.343	Positive charged surface: 157.506	Negative charged surface: 313.837	Volume: 244.875
Hydrophobic surface: 402.557	Hydrophilic surface: 68.786

Pharmacophoric Properties
Hydrogen bond donors: 0	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.