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MMsINC code: MMs03209621

Type: Neutral
Formula: C₁₀H₁₅N₃O₆

SMILES:

OC(=O)C(NC(=O)C1N(N=O)CCC1)CCC(O)=O

InChI:

InChI=1/C10H15N3O6/c14-8(15)4-3-6(10(17)18)11-9(16)7-2-1-5-13(7)12-19/h6-7H,1-5H2,(H,11,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.2697 kcal/mol

Physical Properties
Molecular Weight: 273.245 g/mol	logS: -0.59115	SlogP: -0.4336	Reactive groups: 0

Topological Properties
Globularity: 0.11023	Sterimol/B1: 2.65842	Sterimol/B2: 4.48146	Sterimol/B3: 5.27638
Sterimol/B4: 5.55429	Sterimol/L: 13.4127

Surface and Volume Properties
Accessible surface: 482.334	Positive charged surface: 290.815	Negative charged surface: 191.519	Volume: 232.75
Hydrophobic surface: 271.691	Hydrophilic surface: 210.643

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	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

MMs03209622
PUBCHEM-ZINC05134633