MMsINC Database Search


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MMsINC code: MMs02109608

Type: Neutral
Formula: C₁₇H₁₃FN₂O₂

SMILES:

Fc1ccc(Oc2nc(ncc2OC)-c2ccccc2)cc1

InChI:

InChI=1/C17H13FN2O2/c1-21-15-11-19-16(12-5-3-2-4-6-12)20-17(15)22-14-9-7-13(18)8-10-14/h2-11H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.7241 kcal/mol

Physical Properties
Molecular Weight: 296.301 g/mol	logS: -5.41273	SlogP: 4.0836	Reactive groups: 0

Topological Properties
Globularity: 0.0852895	Sterimol/B1: 2.32379	Sterimol/B2: 3.56587	Sterimol/B3: 3.56969
Sterimol/B4: 9.80032	Sterimol/L: 14.0575

Surface and Volume Properties
Accessible surface: 533.367	Positive charged surface: 322.853	Negative charged surface: 204.978	Volume: 276.625
Hydrophobic surface: 500.791	Hydrophilic surface: 32.576

Pharmacophoric Properties
Hydrogen bond donors: 0	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.