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MMsINC code: MMs03079000

Type: Neutral
Formula: C₁₀H₁₃N₄O₇P

SMILES:

P(OCC1OC(n2c3NC=NC(=O)c3nc2)CC1O)(O)(O)=O

InChI:

InChI=1/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6-,7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=2.6904 kcal/mol

Physical Properties
Molecular Weight: 332.209 g/mol	logS: -0.80662	SlogP: -1.7399	Reactive groups: 0

Topological Properties
Globularity: 0.0827203	Sterimol/B1: 2.17726	Sterimol/B2: 4.32219	Sterimol/B3: 4.33574
Sterimol/B4: 4.69694	Sterimol/L: 15.5452

Surface and Volume Properties
Accessible surface: 519.823	Positive charged surface: 329.33	Negative charged surface: 190.493	Volume: 255
Hydrophobic surface: 177.465	Hydrophilic surface: 342.358

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 9	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03079001
PUBCHEM-ZINC03869875