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MMsINC code: MMs02125326

Type: Neutral
Formula: C₂₁H₂₃F₂NO

SMILES:

Fc1ccc(cc1)C(OC1CC2N(C(C1)CC2)C)c1ccc(F)cc1

InChI:

InChI=1/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3/t18-,19+,20-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.9927 kcal/mol

Physical Properties
Molecular Weight: 343.417 g/mol	logS: -4.86159	SlogP: 4.7915	Reactive groups: 0

Topological Properties
Globularity: 0.164905	Sterimol/B1: 3.46214	Sterimol/B2: 4.08528	Sterimol/B3: 4.18736
Sterimol/B4: 7.67897	Sterimol/L: 14.4298

Surface and Volume Properties
Accessible surface: 579.313	Positive charged surface: 365.474	Negative charged surface: 213.839	Volume: 333.25
Hydrophobic surface: 575.839	Hydrophilic surface: 3.4739999999999

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02125327
LOPAC-ZINC00007360