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MMsINC code: MMs03430665

Type: Neutral
Formula: C₁₁H₁₆N₄O₃

SMILES:

O1C(CN(CC1C)c1nc(cnc1)C(=O)NO)C

InChI:

InChI=1/C11H16N4O3/c1-7-5-15(6-8(2)18-7)10-4-12-3-9(13-10)11(16)14-17/h3-4,7-8,17H,5-6H2,1-2H3,(H,14,16)/t7-,8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.107 kcal/mol

Physical Properties
Molecular Weight: 252.274 g/mol	logS: -0.2616	SlogP: 0.2092	Reactive groups: 0

Topological Properties
Globularity: 0.116429	Sterimol/B1: 2.094	Sterimol/B2: 2.43572	Sterimol/B3: 5.24883
Sterimol/B4: 6.54618	Sterimol/L: 13.3292

Surface and Volume Properties
Accessible surface: 461.313	Positive charged surface: 332.935	Negative charged surface: 128.379	Volume: 231.125
Hydrophobic surface: 247.57	Hydrophilic surface: 213.743

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.