MMsINC Database Search


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MMsINC code: MMs03317781

Type: Neutral
Formula: C₁₄H₉FN₂O

SMILES:

Fc1cc2nc(cc(O)c2cc1)-c1ncccc1

InChI:

InChI=1/C14H9FN2O/c15-9-4-5-10-12(7-9)17-13(8-14(10)18)11-3-1-2-6-16-11/h1-8H,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.1022 kcal/mol

Physical Properties
Molecular Weight: 240.237 g/mol	logS: -3.01229	SlogP: 3.1415	Reactive groups: 0

Topological Properties
Globularity: 0.00216241	Sterimol/B1: 2.097	Sterimol/B2: 2.24758	Sterimol/B3: 2.90176
Sterimol/B4: 6.15986	Sterimol/L: 14.182

Surface and Volume Properties
Accessible surface: 440.387	Positive charged surface: 247.51	Negative charged surface: 187.342	Volume: 217.125
Hydrophobic surface: 360.766	Hydrophilic surface: 79.621

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.