MMsINC Database Search


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MMsINC code: MMs01615966

Type: Neutral
Formula: C₁₆H₁₆FNO

SMILES:

Fc1ccc(cc1)C(NC(=O)c1cc(ccc1)C)C

InChI:

InChI=1/C16H16FNO/c1-11-4-3-5-14(10-11)16(19)18-12(2)13-6-8-15(17)9-7-13/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.0269 kcal/mol

Physical Properties
Molecular Weight: 257.308 g/mol	logS: -4.39502	SlogP: 3.72062	Reactive groups: 0

Topological Properties
Globularity: 0.0604724	Sterimol/B1: 2.80024	Sterimol/B2: 3.49239	Sterimol/B3: 4.35425
Sterimol/B4: 5.07384	Sterimol/L: 15.5586

Surface and Volume Properties
Accessible surface: 503.225	Positive charged surface: 266.387	Negative charged surface: 236.838	Volume: 254.875
Hydrophobic surface: 451.118	Hydrophilic surface: 52.107

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.