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MMsINC code: MMs03454281

Type: Neutral
Formula: C₁₀H₁₄N₅O₅P

SMILES:

P(OCC1OCC(n2c3ncnc(N)c3nc2)C1)(O)(O)=O

InChI:

InChI=1/C10H14N5O5P/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-7(19-2-6)3-20-21(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)=-23.7127 kcal/mol

Physical Properties
Molecular Weight: 315.226 g/mol	logS: -1.47638	SlogP: -1.1269	Reactive groups: 0

Topological Properties
Globularity: 0.0516317	Sterimol/B1: 2.46445	Sterimol/B2: 2.9605	Sterimol/B3: 4.21177
Sterimol/B4: 5.58553	Sterimol/L: 17.1597

Surface and Volume Properties
Accessible surface: 523.647	Positive charged surface: 367.071	Negative charged surface: 156.576	Volume: 252.125
Hydrophobic surface: 197.227	Hydrophilic surface: 326.42

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

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Ions/Tautomers related molecules

MMs03454282
PUBCHEM-ZINC05941205