MMsINC Database Search


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MMsINC code: MMs00068900

Type: Neutral
Formula: C₂₀H₁₃FN₂O₂

SMILES:

Fc1ccccc1C(=O)Nc1cc(ccc1)-c1oc2c(n1)cccc2

InChI:

InChI=1/C20H13FN2O2/c21-16-9-2-1-8-15(16)19(24)22-14-7-5-6-13(12-14)20-23-17-10-3-4-11-18(17)25-20/h1-12H,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.7694 kcal/mol

Physical Properties
Molecular Weight: 332.334 g/mol	logS: -6.96552	SlogP: 4.8862	Reactive groups: 0

Topological Properties
Globularity: 0.0133051	Sterimol/B1: 2.097	Sterimol/B2: 3.6165	Sterimol/B3: 4.47309
Sterimol/B4: 6.78776	Sterimol/L: 17.9264

Surface and Volume Properties
Accessible surface: 573.202	Positive charged surface: 304.161	Negative charged surface: 269.041	Volume: 303.625
Hydrophobic surface: 499.731	Hydrophilic surface: 73.471

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.