MMsINC Database Search


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MMsINC code: MMs01228413

Type: Neutral
Formula: C₁₅H₁₄FNO

SMILES:

Fc1ccc(cc1)CNC(=O)c1ccccc1C

InChI:

InChI=1/C15H14FNO/c1-11-4-2-3-5-14(11)15(18)17-10-12-6-8-13(16)9-7-12/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)=53.0764 kcal/mol

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

Topological Properties
Globularity: 0.0688115	Sterimol/B1: 1.99989	Sterimol/B2: 3.66921	Sterimol/B3: 3.6874
Sterimol/B4: 6.75366	Sterimol/L: 14.7365

Surface and Volume Properties
Accessible surface: 470.897	Positive charged surface: 261.847	Negative charged surface: 209.05	Volume: 239.125
Hydrophobic surface: 436.256	Hydrophilic surface: 34.641

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.