MMsINC Database Search


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MMsINC code: MMs00609842

Type: Neutral
Formula: C₁₆H₁₁FN₂O

SMILES:

Fc1cc(ccc1)C(=O)Nc1c2c(nccc2)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.0346 kcal/mol

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

Topological Properties
Globularity: 0.0186117	Sterimol/B1: 2.11123	Sterimol/B2: 3.04738	Sterimol/B3: 4.43482
Sterimol/B4: 5.56551	Sterimol/L: 14.313

Surface and Volume Properties
Accessible surface: 471.443	Positive charged surface: 247.191	Negative charged surface: 218.688	Volume: 246.625
Hydrophobic surface: 417.426	Hydrophilic surface: 54.017

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.