MMsINC Database Search


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MMsINC code: MMs00624142

Type: Neutral
Formula: C₁₇H₂₄FNO

SMILES:

Fc1ccc(cc1)CCNC(=O)CCC1CCCCC1

InChI:

InChI=1/C17H24FNO/c18-16-9-6-15(7-10-16)12-13-19-17(20)11-8-14-4-2-1-3-5-14/h6-7,9-10,14H,1-5,8,11-13H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.2476 kcal/mol

Physical Properties
Molecular Weight: 277.383 g/mol	logS: -5.08587	SlogP: 3.84487	Reactive groups: 0

Topological Properties
Globularity: 0.0366941	Sterimol/B1: 2.71942	Sterimol/B2: 2.78054	Sterimol/B3: 4.00424
Sterimol/B4: 4.93066	Sterimol/L: 19.1411

Surface and Volume Properties
Accessible surface: 561.091	Positive charged surface: 387.719	Negative charged surface: 173.372	Volume: 289.5
Hydrophobic surface: 513.163	Hydrophilic surface: 47.928

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.