MMsINC Database Search


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MMsINC code: MMs03416434

Type: Neutral
Formula: C₁₀H₁₈N₄O₅

SMILES:

O1C(CO)C(O)C(O)C1N1C2NC=NC(O)C2NC1

InChI:

InChI=1/C10H18N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2,4-10,13,15-18H,1,3H2,(H,11,12)/t4-,5-,6-,7-,8-,9+,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.8516 kcal/mol

Physical Properties
Molecular Weight: 274.277 g/mol	logS: 1.45432	SlogP: -4.0673	Reactive groups: 0

Topological Properties
Globularity: 0.0695051	Sterimol/B1: 2.55876	Sterimol/B2: 2.58897	Sterimol/B3: 3.37519
Sterimol/B4: 6.96356	Sterimol/L: 13.585

Surface and Volume Properties
Accessible surface: 470.857	Positive charged surface: 371.495	Negative charged surface: 99.3619	Volume: 234.625
Hydrophobic surface: 180.556	Hydrophilic surface: 290.301

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 8	Acid groups: 0	Basic groups: 0
Chiral centers: 7

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.