MMsINC Database Search


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MMsINC code: MMs02443905

Type: Neutral
Formula: C₁₀H₁₇N₃O₆

SMILES:

O1C2OC(OC2C(NC(=O)N(N=O)C)C1CO)(C)C

InChI:

InChI=1/C10H17N3O6/c1-10(2)18-7-6(11-9(15)13(3)12-16)5(4-14)17-8(7)19-10/h5-8,14H,4H2,1-3H3,(H,11,15)/t5-,6-,7+,8+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.5862 kcal/mol

Physical Properties
Molecular Weight: 275.261 g/mol	logS: -1.15185	SlogP: -0.4535	Reactive groups: 0

Topological Properties
Globularity: 0.0867283	Sterimol/B1: 2.25449	Sterimol/B2: 2.66601	Sterimol/B3: 4.19751
Sterimol/B4: 7.89589	Sterimol/L: 14.0211

Surface and Volume Properties
Accessible surface: 479.71	Positive charged surface: 319.553	Negative charged surface: 160.157	Volume: 238.125
Hydrophobic surface: 310.994	Hydrophilic surface: 168.716

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 7	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.