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MMsINC code: MMs01161607

Type: Neutral
Formula: C₂₀H₂₇FN₄OS

SMILES:

s1nc(nc1N1CCCC1C(=O)NCCCCCC)Cc1ccc(F)cc1

InChI:

InChI=1/C20H27FN4OS/c1-2-3-4-5-12-22-19(26)17-7-6-13-25(17)20-23-18(24-27-20)14-15-8-10-16(21)11-9-15/h8-11,17H,2-7,12-14H2,1H3,(H,22,26)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.502 kcal/mol

Physical Properties
Molecular Weight: 390.527 g/mol	logS: -5.97982	SlogP: 3.93327	Reactive groups: 0

Topological Properties
Globularity: 0.0320184	Sterimol/B1: 3.07805	Sterimol/B2: 3.34603	Sterimol/B3: 4.24146
Sterimol/B4: 6.74899	Sterimol/L: 22.9016

Surface and Volume Properties
Accessible surface: 705.825	Positive charged surface: 508.633	Negative charged surface: 197.192	Volume: 378.875
Hydrophobic surface: 605.642	Hydrophilic surface: 100.183

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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: no related molecules available.