MMsINC Database Search


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MMsINC code: MMs00624656

Type: Neutral
Formula: C₁₄H₁₀F₂N₂O₃

SMILES:

Fc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.9425 kcal/mol

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

Topological Properties
Globularity: 0.0270057	Sterimol/B1: 2.84643	Sterimol/B2: 3.17482	Sterimol/B3: 3.46555
Sterimol/B4: 5.74525	Sterimol/L: 14.9568

Surface and Volume Properties
Accessible surface: 475.982	Positive charged surface: 207.26	Negative charged surface: 268.722	Volume: 244.5
Hydrophobic surface: 382.951	Hydrophilic surface: 93.031

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.