MMsINC Database Search


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MMsINC code: MMs01505709

Type: Neutral
Formula: C₁₈H₂₀FNO

SMILES:

Fc1ccc(cc1)C(=O)NCCc1ccc(cc1)C(C)C

InChI:

InChI=1/C18H20FNO/c1-13(2)15-5-3-14(4-6-15)11-12-20-18(21)16-7-9-17(19)10-8-16/h3-10,13H,11-12H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.3537 kcal/mol

Physical Properties
Molecular Weight: 285.362 g/mol	logS: -5.15972	SlogP: 3.92157	Reactive groups: 0

Topological Properties
Globularity: 0.0361085	Sterimol/B1: 2.90917	Sterimol/B2: 3.05969	Sterimol/B3: 4.29877
Sterimol/B4: 4.77607	Sterimol/L: 19.093

Surface and Volume Properties
Accessible surface: 560.75	Positive charged surface: 331.088	Negative charged surface: 229.662	Volume: 290.875
Hydrophobic surface: 477.245	Hydrophilic surface: 83.505

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.