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MMsINC code: MMs02651082

Type: Neutral
Formula: C₁₄H₂₀N₄O₄

SMILES:

o1c(ccc1[N+](=O)[O-])\C=N\NC(=O)CN1CCCCCCC1

InChI:

InChI=1/C14H20N4O4/c19-13(11-17-8-4-2-1-3-5-9-17)16-15-10-12-6-7-14(22-12)18(20)21/h6-7,10H,1-5,8-9,11H2,(H,16,19)/b15-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.252 kcal/mol

Physical Properties
Molecular Weight: 308.338 g/mol	logS: -3.99234	SlogP: 1.904	Reactive groups: 0

Topological Properties
Globularity: 0.0503126	Sterimol/B1: 2.79837	Sterimol/B2: 3.61098	Sterimol/B3: 3.93854
Sterimol/B4: 6.40469	Sterimol/L: 16.7739

Surface and Volume Properties
Accessible surface: 557.932	Positive charged surface: 355.902	Negative charged surface: 202.03	Volume: 283.25
Hydrophobic surface: 372.86	Hydrophilic surface: 185.072

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

MMs02651083
PUBCHEM-ZINC00293224