MMsINC Database Search


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MMsINC code: MMs02461909

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)=102.109 kcal/mol

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

Topological Properties
Globularity: 0.0590877	Sterimol/B1: 2.47082	Sterimol/B2: 2.55768	Sterimol/B3: 3.78235
Sterimol/B4: 4.4355	Sterimol/L: 15.4723

Surface and Volume Properties
Accessible surface: 465.559	Positive charged surface: 298.379	Negative charged surface: 167.18	Volume: 233.375
Hydrophobic surface: 358.702	Hydrophilic surface: 106.857

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.