MMsINC Database Search


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MMsINC code: MMs00726264

Type: Neutral
Formula: C₁₈H₂₀FNO

SMILES:

Fc1ccc(cc1)C(=O)NC(CCCC)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.1126 kcal/mol

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

Topological Properties
Globularity: 0.158729	Sterimol/B1: 2.13916	Sterimol/B2: 3.56828	Sterimol/B3: 4.00376
Sterimol/B4: 11.2745	Sterimol/L: 13.396

Surface and Volume Properties
Accessible surface: 552.857	Positive charged surface: 323.708	Negative charged surface: 229.149	Volume: 291.25
Hydrophobic surface: 503.095	Hydrophilic surface: 49.762

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.