MMsINC Database Search


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MMsINC code: MMs02102121

Type: Neutral
Formula: C₁₈H₂₄FNO₃

SMILES:

Fc1ccccc1C(NC(OCC)=O)C1CCCCCCC1=O

InChI:

InChI=1/C18H24FNO3/c1-2-23-18(22)20-17(13-9-7-8-11-15(13)19)14-10-5-3-4-6-12-16(14)21/h7-9,11,14,17H,2-6,10,12H2,1H3,(H,20,22)/t14-,17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.9407 kcal/mol

Physical Properties
Molecular Weight: 321.392 g/mol	logS: -4.29781	SlogP: 4.2479	Reactive groups: 0

Topological Properties
Globularity: 0.108605	Sterimol/B1: 3.17447	Sterimol/B2: 3.27523	Sterimol/B3: 4.2157
Sterimol/B4: 8.752	Sterimol/L: 15.1409

Surface and Volume Properties
Accessible surface: 557.977	Positive charged surface: 369.69	Negative charged surface: 188.287	Volume: 310.75
Hydrophobic surface: 472.916	Hydrophilic surface: 85.061

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.