MMsINC Database Search


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MMsINC code: MMs00112895

Type: Neutral
Formula: C₁₇H₁₂FNO

SMILES:

Fc1ccccc1NC(=O)c1c2c(ccc1)cccc2

InChI:

InChI=1/C17H12FNO/c18-15-10-3-4-11-16(15)19-17(20)14-9-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.447 kcal/mol

Physical Properties
Molecular Weight: 265.287 g/mol	logS: -5.52773	SlogP: 4.2312	Reactive groups: 0

Topological Properties
Globularity: 0.0145106	Sterimol/B1: 2.35298	Sterimol/B2: 2.87158	Sterimol/B3: 3.10462
Sterimol/B4: 6.91134	Sterimol/L: 14.7666

Surface and Volume Properties
Accessible surface: 476.698	Positive charged surface: 234.575	Negative charged surface: 231.052	Volume: 252.125
Hydrophobic surface: 451.343	Hydrophilic surface: 25.355

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.