MMsINC Database Search


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MMsINC code: MMs00613471

Type: Neutral
Formula: C₁₆H₁₁FN₂O

SMILES:

Fc1ccc(cc1)C(=O)Nc1c2c(nccc2)ccc1

InChI:

InChI=1/C16H11FN2O/c17-12-8-6-11(7-9-12)16(20)19-15-5-1-4-14-13(15)3-2-10-18-14/h1-10H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.2079 kcal/mol

Physical Properties
Molecular Weight: 266.275 g/mol	logS: -4.23839	SlogP: 3.6262	Reactive groups: 0

Topological Properties
Globularity: 0.0129336	Sterimol/B1: 2.21976	Sterimol/B2: 2.55034	Sterimol/B3: 2.9021
Sterimol/B4: 7.43185	Sterimol/L: 14.7782

Surface and Volume Properties
Accessible surface: 476.217	Positive charged surface: 249.618	Negative charged surface: 221.064	Volume: 246.625
Hydrophobic surface: 424.406	Hydrophilic surface: 51.811

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.