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MMsINC code: MMs01043767

Type: Neutral
Formula: C₁₉H₂₆FN₅O₂

SMILES:

Fc1ccccc1-c1nc(on1)CCC(=O)NCCCN1CCN(CC1)C

InChI:

InChI=1/C19H26FN5O2/c1-24-11-13-25(14-12-24)10-4-9-21-17(26)7-8-18-22-19(23-27-18)15-5-2-3-6-16(15)20/h2-3,5-6H,4,7-14H2,1H3,(H,21,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.4025 kcal/mol

Physical Properties
Molecular Weight: 375.448 g/mol	logS: -3.71462	SlogP: 1.56197	Reactive groups: 0

Topological Properties
Globularity: 0.0222989	Sterimol/B1: 2.48344	Sterimol/B2: 3.07521	Sterimol/B3: 3.93427
Sterimol/B4: 6.64335	Sterimol/L: 23.1038

Surface and Volume Properties
Accessible surface: 696.511	Positive charged surface: 521.151	Negative charged surface: 175.361	Volume: 362
Hydrophobic surface: 596.394	Hydrophilic surface: 100.117

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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

MMs01043768
CHEMDIV-ZINC06820647