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MMsINC code: MMs02325048

Type: Neutral
Formula: C₁₀H₁₅N₅O₄

SMILES:

o1c(ccc1[N+](=O)[O-])\C=N/N(CCN(C)C)C(=O)N

InChI:

InChI=1/C10H15N5O4/c1-13(2)5-6-14(10(11)16)12-7-8-3-4-9(19-8)15(17)18/h3-4,7H,5-6H2,1-2H3,(H2,11,16)/b12-7-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6389 kcal/mol

Physical Properties
Molecular Weight: 269.261 g/mol	logS: -2.36242	SlogP: 0.464	Reactive groups: 0

Topological Properties
Globularity: 0.233768	Sterimol/B1: 2.43028	Sterimol/B2: 3.72093	Sterimol/B3: 5.57467
Sterimol/B4: 7.21627	Sterimol/L: 12.3662

Surface and Volume Properties
Accessible surface: 484.035	Positive charged surface: 324.074	Negative charged surface: 159.96	Volume: 241.375
Hydrophobic surface: 271.729	Hydrophilic surface: 212.306

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

MMs02325049
NCID-ZINC01693555