MMsINC Database Search


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MMsINC code: MMs00730193

Type: Neutral
Formula: C₁₃H₉FN₂O₃

SMILES:

Fc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]

InChI:

InChI=1/C13H9FN2O3/c14-10-6-2-3-7-11(10)15-13(17)9-5-1-4-8-12(9)16(18)19/h1-8H,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.0285 kcal/mol

Physical Properties
Molecular Weight: 260.224 g/mol	logS: -4.44008	SlogP: 2.9862	Reactive groups: 0

Topological Properties
Globularity: 0.0913928	Sterimol/B1: 2.45592	Sterimol/B2: 3.19177	Sterimol/B3: 4.2066
Sterimol/B4: 6.58157	Sterimol/L: 14.2214

Surface and Volume Properties
Accessible surface: 446.045	Positive charged surface: 202.798	Negative charged surface: 243.247	Volume: 221.875
Hydrophobic surface: 349.188	Hydrophilic surface: 96.857

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.