MMsINC Database Search


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MMsINC code: MMs00404374

Type: Neutral
Formula: C₁₅H₁₁FN₂O₂

SMILES:

Fc1ccccc1-c1oc2c(n1)cc(NC(=O)C)cc2

InChI:

InChI=1/C15H11FN2O2/c1-9(19)17-10-6-7-14-13(8-10)18-15(20-14)11-4-2-3-5-12(11)16/h2-8H,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.106 kcal/mol

Physical Properties
Molecular Weight: 270.263 g/mol	logS: -5.20498	SlogP: 3.5923	Reactive groups: 0

Topological Properties
Globularity: 0.00658671	Sterimol/B1: 2.41794	Sterimol/B2: 2.56474	Sterimol/B3: 2.9141
Sterimol/B4: 6.29541	Sterimol/L: 16.4563

Surface and Volume Properties
Accessible surface: 487.119	Positive charged surface: 275.441	Negative charged surface: 211.679	Volume: 243.25
Hydrophobic surface: 400.707	Hydrophilic surface: 86.412

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.