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MMsINC code: MMs00818470

Type: Neutral
Formula: C₂₅H₂₇FN₂O₂

SMILES:

Fc1ccc(N2CCN(CC2)Cc2cc(OC)c(OCc3ccccc3)cc2)cc1

InChI:

InChI=1/C25H27FN2O2/c1-29-25-17-21(7-12-24(25)30-19-20-5-3-2-4-6-20)18-27-13-15-28(16-14-27)23-10-8-22(26)9-11-23/h2-12,17H,13-16,18-19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=184.129 kcal/mol

Physical Properties
Molecular Weight: 406.501 g/mol	logS: -5.29056	SlogP: 5.2683	Reactive groups: 0

Topological Properties
Globularity: 0.0730361	Sterimol/B1: 2.34528	Sterimol/B2: 2.36653	Sterimol/B3: 6.53792
Sterimol/B4: 8.70838	Sterimol/L: 20.7168

Surface and Volume Properties
Accessible surface: 726.34	Positive charged surface: 485.635	Negative charged surface: 240.705	Volume: 403.25
Hydrophobic surface: 692.136	Hydrophilic surface: 34.204

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs00818471
CHEMBRIDGE-ZINC04981139