MMsINC Database Search


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MMsINC code: MMs01612862

Type: Neutral
Formula: C₁₈H₁₈FNO₂

SMILES:

Fc1ccccc1OCC(=O)NC1CCCc2c1cccc2

InChI:

InChI=1/C18H18FNO2/c19-15-9-3-4-11-17(15)22-12-18(21)20-16-10-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-9,11,16H,5,7,10,12H2,(H,20,21)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6072 kcal/mol

Physical Properties
Molecular Weight: 299.345 g/mol	logS: -4.57157	SlogP: 3.49377	Reactive groups: 0

Topological Properties
Globularity: 0.053629	Sterimol/B1: 2.44833	Sterimol/B2: 3.11477	Sterimol/B3: 4.33074
Sterimol/B4: 7.37483	Sterimol/L: 16.4901

Surface and Volume Properties
Accessible surface: 547.878	Positive charged surface: 324.989	Negative charged surface: 222.889	Volume: 285.625
Hydrophobic surface: 503.35	Hydrophilic surface: 44.528

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