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MMsINC code: MMs02438383

Type: Neutral
Formula: C₉H₁₂N₃O₇P

SMILES:

P(OC1C2OC3=NC(=N)C=CN3C2OC1CO)(O)(O)=O

InChI:

InChI=1/C9H12N3O7P/c10-5-1-2-12-8-7(18-9(12)11-5)6(4(3-13)17-8)19-20(14,15)16/h1-2,4,6-8,10,13H,3H2,(H2,14,15,16)/b10-5-/t4-,6+,7-,8+/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-31.2607 kcal/mol

Physical Properties
Molecular Weight: 305.183 g/mol	logS: -0.54174	SlogP: -2.32733	Reactive groups: 0

Topological Properties
Globularity: 0.148585	Sterimol/B1: 2.0584	Sterimol/B2: 2.24174	Sterimol/B3: 5.17695
Sterimol/B4: 7.74817	Sterimol/L: 13.075

Surface and Volume Properties
Accessible surface: 472.11	Positive charged surface: 277.591	Negative charged surface: 194.519	Volume: 230.125
Hydrophobic surface: 161.067	Hydrophilic surface: 311.043

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 8	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

MMs02438384
NCID-ZINC05084605