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MMsINC code: MMs00416572

Type: Neutral
Formula: C₁₉H₂₆FN₅O

SMILES:

Fc1ccccc1C1(O)CCN(CC1)Cc1nnnn1C1CCCCC1

InChI:

InChI=1/C19H26FN5O/c20-17-9-5-4-8-16(17)19(26)10-12-24(13-11-19)14-18-21-22-23-25(18)15-6-2-1-3-7-15/h4-5,8-9,15,26H,1-3,6-7,10-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.4631 kcal/mol

Physical Properties
Molecular Weight: 359.449 g/mol	logS: -2.8166	SlogP: 3.4744	Reactive groups: 0

Topological Properties
Globularity: 0.0881593	Sterimol/B1: 3.821	Sterimol/B2: 4.0755	Sterimol/B3: 4.38933
Sterimol/B4: 5.70604	Sterimol/L: 16.7529

Surface and Volume Properties
Accessible surface: 597.548	Positive charged surface: 386.263	Negative charged surface: 177.226	Volume: 343.5
Hydrophobic surface: 532.093	Hydrophilic surface: 65.455

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

MMs00416573
ASINEX-ZINC04967707