MMsINC Database Search


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MMsINC code: MMs01867106

Type: Neutral
Formula: C₂₀H₂₄FNO₂

SMILES:

Fc1ccc(cc1)C(CC(=O)N(CC)CC)c1ccc(OC)cc1

InChI:

InChI=1/C20H24FNO2/c1-4-22(5-2)20(23)14-19(15-6-10-17(21)11-7-15)16-8-12-18(24-3)13-9-16/h6-13,19H,4-5,14H2,1-3H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.2794 kcal/mol

Physical Properties
Molecular Weight: 329.415 g/mol	logS: -4.01065	SlogP: 4.2247	Reactive groups: 0

Topological Properties
Globularity: 0.148059	Sterimol/B1: 3.42783	Sterimol/B2: 5.07938	Sterimol/B3: 5.99772
Sterimol/B4: 6.77481	Sterimol/L: 16.155

Surface and Volume Properties
Accessible surface: 595.344	Positive charged surface: 397.41	Negative charged surface: 197.935	Volume: 333.875
Hydrophobic surface: 527.227	Hydrophilic surface: 68.117

Pharmacophoric Properties
Hydrogen bond donors: 0	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.