MMsINC Database Search


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MMsINC code: MMs00624038

Type: Neutral
Formula: C₁₅H₁₁FN₂O₃

SMILES:

Fc1cc(NC(=O)\C=C\c2ccccc2[N+](=O)[O-])ccc1

InChI:

InChI=1/C15H11FN2O3/c16-12-5-3-6-13(10-12)17-15(19)9-8-11-4-1-2-7-14(11)18(20)21/h1-10H,(H,17,19)/b9-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6494 kcal/mol

Physical Properties
Molecular Weight: 286.262 g/mol	logS: -4.9459	SlogP: 3.3858	Reactive groups: 0

Topological Properties
Globularity: 0.0103447	Sterimol/B1: 2.45361	Sterimol/B2: 2.53468	Sterimol/B3: 3.0159
Sterimol/B4: 6.78591	Sterimol/L: 16.4061

Surface and Volume Properties
Accessible surface: 506.552	Positive charged surface: 219.364	Negative charged surface: 287.187	Volume: 250.5
Hydrophobic surface: 383.979	Hydrophilic surface: 122.573

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.