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MMsINC code: MMs03482365

Type: Neutral
Formula: C₁₀H₁₅N₃O₅

SMILES:

O1C(CO)C(O)C(OC)C1N1C=CC(=NC1=O)N

InChI:

InChI=1/C10H15N3O5/c1-17-8-7(15)5(4-14)18-9(8)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)/t5-,7-,8+,9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.1634 kcal/mol

Physical Properties
Molecular Weight: 257.246 g/mol	logS: -0.41759	SlogP: -1.614	Reactive groups: 0

Topological Properties
Globularity: 0.154792	Sterimol/B1: 1.969	Sterimol/B2: 2.70639	Sterimol/B3: 4.61748
Sterimol/B4: 7.59785	Sterimol/L: 12.7965

Surface and Volume Properties
Accessible surface: 452.377	Positive charged surface: 336.215	Negative charged surface: 116.162	Volume: 223
Hydrophobic surface: 231.832	Hydrophilic surface: 220.545

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	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.