MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02816155

Type: Neutral
Formula: C₁₀H₁₄N₅O₅P

SMILES:

P(OCC1OC(n2c3ncnc(N)c3nc2)CC1)(O)(O)=O

InChI:

InChI=1/C10H14N5O5P/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(20-7)3-19-21(16,17)18/h4-7H,1-3H2,(H2,11,12,13)(H2,16,17,18)/t6-,7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-25.3761 kcal/mol

Physical Properties
Molecular Weight: 315.226 g/mol	logS: -1.55888	SlogP: -0.7793	Reactive groups: 0

Topological Properties
Globularity: 0.0592515	Sterimol/B1: 2.54747	Sterimol/B2: 3.87309	Sterimol/B3: 4.31908
Sterimol/B4: 5.32194	Sterimol/L: 15.0621

Surface and Volume Properties
Accessible surface: 519.072	Positive charged surface: 356.723	Negative charged surface: 162.349	Volume: 251
Hydrophobic surface: 193.916	Hydrophilic surface: 325.156

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 8	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules

MMs02816156
PUBCHEM-ZINC01610957