MMsINC Database Search


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MMsINC code: MMs03460054

Type: Neutral
Formula: C₈H₁₅N₃O₇

SMILES:

OC1C(NC(=O)N(N=O)C)C(O)C(O)C(O)C1O

InChI:

InChI=1/C8H15N3O7/c1-11(10-18)8(17)9-2-3(12)5(14)7(16)6(15)4(2)13/h2-7,12-16H,1H3,(H,9,17)/t2-,3-,4+,5-,6-,7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.5017 kcal/mol

Physical Properties
Molecular Weight: 265.222 g/mol	logS: 0.82618	SlogP: -3.5041	Reactive groups: 0

Topological Properties
Globularity: 0.088113	Sterimol/B1: 2.5107	Sterimol/B2: 3.66171	Sterimol/B3: 3.80739
Sterimol/B4: 5.04418	Sterimol/L: 13.1044

Surface and Volume Properties
Accessible surface: 442.97	Positive charged surface: 306.461	Negative charged surface: 136.509	Volume: 213.75
Hydrophobic surface: 210.029	Hydrophilic surface: 232.941

Pharmacophoric Properties
Hydrogen bond donors: 6	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.