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MMsINC code: MMs02325049

Type: Ionized
Formula: C₁₀H₁₆N₅O₄+

SMILES:

o1c(ccc1[N+](=O)[O-])\C=N/N(CC[NH+](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)/p+1/b12-7-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4071 kcal/mol

Physical Properties
Molecular Weight: 270.269 g/mol	logS: -2.33803	SlogP: -0.9531	Reactive groups: 0

Topological Properties
Globularity: 0.166639	Sterimol/B1: 2.91981	Sterimol/B2: 3.28252	Sterimol/B3: 4.87106
Sterimol/B4: 6.97734	Sterimol/L: 12.9464

Surface and Volume Properties
Accessible surface: 483.146	Positive charged surface: 324.906	Negative charged surface: 158.24	Volume: 244.5
Hydrophobic surface: 224.441	Hydrophilic surface: 258.705

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 1
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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Parent related molecule:

MMs02325048
NCID-ZINC01693555