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MMsINC code: MMs01159822

Type: Neutral
Formula: C₂₄H₂₆FN₃O₂

SMILES:

Fc1ccccc1-n1c(cc(C(=O)NCCN2CCOCC2)c1C)-c1ccccc1

InChI:

InChI=1/C24H26FN3O2/c1-18-20(24(29)26-11-12-27-13-15-30-16-14-27)17-23(19-7-3-2-4-8-19)28(18)22-10-6-5-9-21(22)25/h2-10,17H,11-16H2,1H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.547 kcal/mol

Physical Properties
Molecular Weight: 407.489 g/mol	logS: -4.88502	SlogP: 3.65382	Reactive groups: 0

Topological Properties
Globularity: 0.0337007	Sterimol/B1: 1.969	Sterimol/B2: 3.40553	Sterimol/B3: 4.07306
Sterimol/B4: 9.62053	Sterimol/L: 19.2795

Surface and Volume Properties
Accessible surface: 697.043	Positive charged surface: 462.685	Negative charged surface: 234.359	Volume: 396.375
Hydrophobic surface: 639.108	Hydrophilic surface: 57.935

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

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Ions/Tautomers related molecules

MMs01159823
COMGENEX-ZINC04780955