MMsINC Database Search


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MMsINC code: MMs01602216

Type: Neutral
Formula: C₁₈H₂₀FNO₂

SMILES:

Fc1ccccc1CNC(=O)c1cc(OCC(C)C)ccc1

InChI:

InChI=1/C18H20FNO2/c1-13(2)12-22-16-8-5-7-14(10-16)18(21)20-11-15-6-3-4-9-17(15)19/h3-10,13H,11-12H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.5384 kcal/mol

Physical Properties
Molecular Weight: 301.361 g/mol	logS: -4.37502	SlogP: 4.0569	Reactive groups: 0

Topological Properties
Globularity: 0.0324078	Sterimol/B1: 2.51093	Sterimol/B2: 3.0074	Sterimol/B3: 4.31367
Sterimol/B4: 5.81417	Sterimol/L: 19.1664

Surface and Volume Properties
Accessible surface: 585.521	Positive charged surface: 350.21	Negative charged surface: 235.311	Volume: 299
Hydrophobic surface: 495.496	Hydrophilic surface: 90.025

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.