MMsINC Database Search


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MMsINC code: MMs01232312

Type: Neutral
Formula: C₁₆H₁₆FNO

SMILES:

Fc1ccc(cc1)CNC(=O)c1cc(ccc1C)C

InChI:

InChI=1/C16H16FNO/c1-11-3-4-12(2)15(9-11)16(19)18-10-13-5-7-14(17)8-6-13/h3-9H,10H2,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4639 kcal/mol

Physical Properties
Molecular Weight: 257.308 g/mol	logS: -4.54173	SlogP: 3.63894	Reactive groups: 0

Topological Properties
Globularity: 0.0688844	Sterimol/B1: 1.969	Sterimol/B2: 3.64886	Sterimol/B3: 3.70773
Sterimol/B4: 7.73791	Sterimol/L: 14.5459

Surface and Volume Properties
Accessible surface: 508.141	Positive charged surface: 289.603	Negative charged surface: 218.537	Volume: 256.75
Hydrophobic surface: 474.655	Hydrophilic surface: 33.486

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.