MMsINC Database Search


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MMsINC code: MMs01229340

Type: Neutral
Formula: C₁₄H₁₂FNO

SMILES:

Fc1cc(NC(=O)c2ccccc2)c(cc1)C

InChI:

InChI=1/C14H12FNO/c1-10-7-8-12(15)9-13(10)16-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.724 kcal/mol

Physical Properties
Molecular Weight: 229.254 g/mol	logS: -3.81032	SlogP: 3.38642	Reactive groups: 0

Topological Properties
Globularity: 0.0182279	Sterimol/B1: 2.01211	Sterimol/B2: 2.13963	Sterimol/B3: 2.86042
Sterimol/B4: 6.85311	Sterimol/L: 14.1439

Surface and Volume Properties
Accessible surface: 445.182	Positive charged surface: 228.93	Negative charged surface: 216.252	Volume: 222.25
Hydrophobic surface: 415.707	Hydrophilic surface: 29.475

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.