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MMsINC code: MMs02297702

Type: Neutral
Formula: C₂₃H₂₇F₂NO

SMILES:

Fc1ccc(cc1)C(OCCC1CC2N(C(C1)CC2)C)c1ccc(F)cc1

InChI:

InChI=1/C23H27F2NO/c1-26-21-10-11-22(26)15-16(14-21)12-13-27-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,16,21-23H,10-15H2,1H3/t16-,21-,22+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.016 kcal/mol

Physical Properties
Molecular Weight: 371.471 g/mol	logS: -5.13969	SlogP: 5.4292	Reactive groups: 0

Topological Properties
Globularity: 0.0954694	Sterimol/B1: 3.51033	Sterimol/B2: 4.33525	Sterimol/B3: 5.5964
Sterimol/B4: 5.88777	Sterimol/L: 17.0136

Surface and Volume Properties
Accessible surface: 647.088	Positive charged surface: 419.745	Negative charged surface: 227.343	Volume: 368.125
Hydrophobic surface: 643.705	Hydrophilic surface: 3.3829999999999

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02297703
NCID-ZINC01660259