MMsINC Database Search


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MMsINC code: MMs00722543

Type: Neutral
Formula: C₁₈H₂₀FNO

SMILES:

Fc1cc(ccc1)C(=O)NC(CCCC)c1ccccc1

InChI:

InChI=1/C18H20FNO/c1-2-3-12-17(14-8-5-4-6-9-14)20-18(21)15-10-7-11-16(19)13-15/h4-11,13,17H,2-3,12H2,1H3,(H,20,21)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.3414 kcal/mol

Physical Properties
Molecular Weight: 285.362 g/mol	logS: -5.15331	SlogP: 4.5825	Reactive groups: 0

Topological Properties
Globularity: 0.123952	Sterimol/B1: 2.38111	Sterimol/B2: 2.88339	Sterimol/B3: 4.05875
Sterimol/B4: 9.86343	Sterimol/L: 14.208

Surface and Volume Properties
Accessible surface: 547.97	Positive charged surface: 317.782	Negative charged surface: 230.189	Volume: 291.375
Hydrophobic surface: 502.306	Hydrophilic surface: 45.664

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.