MMsINC Database Search


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MMsINC code: MMs00598114

Type: Neutral
Formula: C₁₃H₇FN₂O₂

SMILES:

Fc1cc2c(cc1)C(=O)N(C2=O)c1ccncc1

InChI:

InChI=1/C13H7FN2O2/c14-8-1-2-10-11(7-8)13(18)16(12(10)17)9-3-5-15-6-4-9/h1-7H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.7092 kcal/mol

Physical Properties
Molecular Weight: 242.209 g/mol	logS: -2.79543	SlogP: 2.0213	Reactive groups: 0

Topological Properties
Globularity: 6.5172e-07	Sterimol/B1: 2.0981	Sterimol/B2: 2.10204	Sterimol/B3: 3.2803
Sterimol/B4: 4.71511	Sterimol/L: 13.2575

Surface and Volume Properties
Accessible surface: 408.949	Positive charged surface: 230.985	Negative charged surface: 177.964	Volume: 207.25
Hydrophobic surface: 323.941	Hydrophilic surface: 85.008

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.