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MMsINC code: MMs03046221

Type: Neutral
Formula: C₂₂H₁₉F₂NO

SMILES:

Fc1cc(F)ccc1C1NCCc2c1ccc(OCc1ccccc1)c2

InChI:

InChI=1/C22H19F2NO/c23-17-6-8-20(21(24)13-17)22-19-9-7-18(12-16(19)10-11-25-22)26-14-15-4-2-1-3-5-15/h1-9,12-13,22,25H,10-11,14H2/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.7184 kcal/mol

Physical Properties
Molecular Weight: 351.396 g/mol	logS: -5.48539	SlogP: 5.14077	Reactive groups: 0

Topological Properties
Globularity: 0.0734866	Sterimol/B1: 3.525	Sterimol/B2: 4.23906	Sterimol/B3: 5.38483
Sterimol/B4: 5.7293	Sterimol/L: 16.7319

Surface and Volume Properties
Accessible surface: 604.381	Positive charged surface: 345.018	Negative charged surface: 259.363	Volume: 333.25
Hydrophobic surface: 575.822	Hydrophilic surface: 28.559

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03046222
PUBCHEM-ZINC03696178