MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03239148

Type: Neutral
Formula: C₈H₁₅N₃O₇

SMILES:

O1C(CO)C(O)C(O)C(O)C1NC(=O)N(N=O)C

InChI:

InChI=1/C8H15N3O7/c1-11(10-17)8(16)9-7-6(15)5(14)4(13)3(2-12)18-7/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4+,5+,6-,7+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0765 kcal/mol

Physical Properties
Molecular Weight: 265.222 g/mol	logS: 0.60027	SlogP: -2.8909	Reactive groups: 0

Topological Properties
Globularity: 0.157154	Sterimol/B1: 3.47235	Sterimol/B2: 4.24913	Sterimol/B3: 5.10191
Sterimol/B4: 5.18014	Sterimol/L: 12.224

Surface and Volume Properties
Accessible surface: 451.285	Positive charged surface: 308.072	Negative charged surface: 143.213	Volume: 213.625
Hydrophobic surface: 238.76	Hydrophilic surface: 212.525

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 8	Acid groups: 0	Basic groups: 0
Chiral centers: 5

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.