MMsINC Database Search


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MMsINC code: MMs01268464

Type: Neutral
Formula: C₁₆H₁₁FN₂O

SMILES:

Fc1ccccc1NC(=O)c1nc2c(cc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.3318 kcal/mol

Physical Properties
Molecular Weight: 266.275 g/mol	logS: -4.39131	SlogP: 3.6262	Reactive groups: 0

Topological Properties
Globularity: 0.0109653	Sterimol/B1: 2.57012	Sterimol/B2: 2.61506	Sterimol/B3: 3.57769
Sterimol/B4: 5.00401	Sterimol/L: 16.1901

Surface and Volume Properties
Accessible surface: 484.128	Positive charged surface: 247.669	Negative charged surface: 230.923	Volume: 246.625
Hydrophobic surface: 425.941	Hydrophilic surface: 58.187

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.