MMsINC Database Search


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MMsINC code: MMs00602913

Type: Neutral
Formula: C₁₇H₁₂FNO

SMILES:

Fc1ccc(NC(=O)c2c3c(ccc2)cccc3)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.4691 kcal/mol

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

Topological Properties
Globularity: 0.0146081	Sterimol/B1: 2.37934	Sterimol/B2: 2.88224	Sterimol/B3: 3.09795
Sterimol/B4: 6.9234	Sterimol/L: 15.0352

Surface and Volume Properties
Accessible surface: 479.83	Positive charged surface: 233.75	Negative charged surface: 235.009	Volume: 251
Hydrophobic surface: 452.336	Hydrophilic surface: 27.494

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.