MMsINC Database Search


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MMsINC code: MMs00790551

Type: Neutral
Formula: C₁₄H₁₀F₂N₂O₃

SMILES:

Fc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc(F)c1

InChI:

InChI=1/C14H10F2N2O3/c1-8-3-2-4-12(13(8)18(20)21)14(19)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1916 kcal/mol

Physical Properties
Molecular Weight: 292.241 g/mol	logS: -4.89553	SlogP: 3.43372	Reactive groups: 0

Topological Properties
Globularity: 0.0250584	Sterimol/B1: 2.9059	Sterimol/B2: 2.98981	Sterimol/B3: 3.47974
Sterimol/B4: 5.74747	Sterimol/L: 14.6804

Surface and Volume Properties
Accessible surface: 478.182	Positive charged surface: 203.482	Negative charged surface: 274.7	Volume: 243.625
Hydrophobic surface: 384.975	Hydrophilic surface: 93.207

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.