MMsINC Database Search


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MMsINC code: MMs00602009

Type: Neutral
Formula: C₁₆H₁₁FN₂O

SMILES:

Fc1ccc(cc1)C(=O)Nc1c2ncccc2ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.0016 kcal/mol

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

Topological Properties
Globularity: 0.0119781	Sterimol/B1: 2.19698	Sterimol/B2: 2.55016	Sterimol/B3: 2.91498
Sterimol/B4: 7.39541	Sterimol/L: 15.0698

Surface and Volume Properties
Accessible surface: 478.848	Positive charged surface: 257.447	Negative charged surface: 215.866	Volume: 245.625
Hydrophobic surface: 431.775	Hydrophilic surface: 47.073

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.