MMsINC Database Search


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MMsINC code: MMs03800450

Type: Neutral
Formula: C₁₀H₁₀N₄O₅

SMILES:

O1C(CO)C(O)C(=O)C1n1c2NC=NC(=O)c2nc1

InChI:

InChI=1/C10H10N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6,10,15-16H,1H2,(H,11,12,18)/t4-,6-,10+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.5387 kcal/mol

Physical Properties
Molecular Weight: 266.213 g/mol	logS: -1.14862	SlogP: -1.6077	Reactive groups: 0

Topological Properties
Globularity: 0.10423	Sterimol/B1: 3.02516	Sterimol/B2: 3.69088	Sterimol/B3: 4.2243
Sterimol/B4: 4.8438	Sterimol/L: 12.8125

Surface and Volume Properties
Accessible surface: 428.79	Positive charged surface: 276.507	Negative charged surface: 152.283	Volume: 211.375
Hydrophobic surface: 146.733	Hydrophilic surface: 282.057

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.