MMsINC Database Search


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MMsINC code: MMs03002603

Type: Neutral
Formula: C₁₇H₂₄FNO

SMILES:

Fc1cc(NC(=O)CCCCCCCCC=C)ccc1

InChI:

InChI=1/C17H24FNO/c1-2-3-4-5-6-7-8-9-13-17(20)19-16-12-10-11-15(18)14-16/h2,10-12,14H,1,3-9,13H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.4656 kcal/mol

Physical Properties
Molecular Weight: 277.383 g/mol	logS: -5.86024	SlogP: 5.071	Reactive groups: 0

Topological Properties
Globularity: 0.0154634	Sterimol/B1: 2.42156	Sterimol/B2: 3.4774	Sterimol/B3: 3.85702
Sterimol/B4: 3.97672	Sterimol/L: 21.7984

Surface and Volume Properties
Accessible surface: 601.12	Positive charged surface: 404.578	Negative charged surface: 196.542	Volume: 297.75
Hydrophobic surface: 505.733	Hydrophilic surface: 95.387

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.