MMsINC Database Search


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MMsINC code: MMs01771746

Type: Neutral
Formula: C₁₄H₁₂FN₂O₂+

SMILES:

Fc1ccc(cc1)C(=O)C[n+]1cc(ccc1)C(=O)N

InChI:

InChI=1/C14H11FN2O2/c15-12-5-3-10(4-6-12)13(18)9-17-7-1-2-11(8-17)14(16)19/h1-8H,9H2,(H-,16,19)/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.7612 kcal/mol

Physical Properties
Molecular Weight: 259.26 g/mol	logS: -2.64271	SlogP: 1.3614	Reactive groups: 0

Topological Properties
Globularity: 0.0785787	Sterimol/B1: 2.4234	Sterimol/B2: 3.28933	Sterimol/B3: 4.01817
Sterimol/B4: 6.23128	Sterimol/L: 15.4945

Surface and Volume Properties
Accessible surface: 466.921	Positive charged surface: 268.603	Negative charged surface: 198.319	Volume: 235.125
Hydrophobic surface: 312.202	Hydrophilic surface: 154.719

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 1
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.