MMsINC Database Search


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MMsINC code: MMs02461911

Type: Neutral
Formula: C₈H₁₈N₄O₆

SMILES:

OC(C(O)C(O)CN(N=O)C)C(O)CN(N=O)C

InChI:

InChI=1/C8H18N4O6/c1-11(9-17)3-5(13)7(15)8(16)6(14)4-12(2)10-18/h5-8,13-16H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.74 kcal/mol

Physical Properties
Molecular Weight: 266.254 g/mol	logS: 0.81904	SlogP: -2.3436	Reactive groups: 0

Topological Properties
Globularity: 0.0607903	Sterimol/B1: 2.37121	Sterimol/B2: 2.86602	Sterimol/B3: 3.45509
Sterimol/B4: 4.41406	Sterimol/L: 15.33

Surface and Volume Properties
Accessible surface: 470.4	Positive charged surface: 297.473	Negative charged surface: 172.928	Volume: 232.125
Hydrophobic surface: 351.922	Hydrophilic surface: 118.478

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 8	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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: no related molecules available.