MMsINC Database Search


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MMsINC code: MMs01628773

Type: Neutral
Formula: C₁₅H₁₄FNO

SMILES:

Fc1ccccc1CNC(=O)c1ccc(cc1)C

InChI:

InChI=1/C15H14FNO/c1-11-6-8-12(9-7-11)15(18)17-10-13-4-2-3-5-14(13)16/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.1735 kcal/mol

Physical Properties
Molecular Weight: 243.281 g/mol	logS: -4.06781	SlogP: 3.33052	Reactive groups: 0

Topological Properties
Globularity: 0.0561792	Sterimol/B1: 2.54748	Sterimol/B2: 3.38563	Sterimol/B3: 3.99374
Sterimol/B4: 5.718	Sterimol/L: 15.1998

Surface and Volume Properties
Accessible surface: 485.635	Positive charged surface: 262.485	Negative charged surface: 223.15	Volume: 240.125
Hydrophobic surface: 440.907	Hydrophilic surface: 44.728

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.