MMsINC Database Search


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MMsINC code: MMs01453841

Type: Neutral
Formula: C₁₆H₁₆FNO

SMILES:

Fc1ccccc1CNC(=O)c1cccc(C)c1C

InChI:

InChI=1/C16H16FNO/c1-11-6-5-8-14(12(11)2)16(19)18-10-13-7-3-4-9-15(13)17/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)=63.0833 kcal/mol

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

Topological Properties
Globularity: 0.0535942	Sterimol/B1: 3.44973	Sterimol/B2: 3.90247	Sterimol/B3: 3.91107
Sterimol/B4: 4.87228	Sterimol/L: 15.5003

Surface and Volume Properties
Accessible surface: 491.857	Positive charged surface: 278.363	Negative charged surface: 213.494	Volume: 255.625
Hydrophobic surface: 456.72	Hydrophilic surface: 35.137

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.