MMsINC Database Search


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MMsINC code: MMs00603673

Type: Neutral
Formula: C₁₃H₉FINO

SMILES:

Ic1ccc(cc1)C(=O)Nc1ccccc1F

InChI:

InChI=1/C13H9FINO/c14-11-3-1-2-4-12(11)16-13(17)9-5-7-10(15)8-6-9/h1-8H,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8694 kcal/mol

Physical Properties
Molecular Weight: 341.123 g/mol	logS: -4.64137	SlogP: 3.6826	Reactive groups: 0

Topological Properties
Globularity: 0.0105449	Sterimol/B1: 2.21206	Sterimol/B2: 2.51676	Sterimol/B3: 2.78244
Sterimol/B4: 5.25862	Sterimol/L: 16.1125

Surface and Volume Properties
Accessible surface: 464.127	Positive charged surface: 183.878	Negative charged surface: 280.249	Volume: 234.375
Hydrophobic surface: 429.576	Hydrophilic surface: 34.551

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.