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NCID-ZINC05833335

 MMsINC code: MMs02504097
Type: Neutral
Formula: C20H32N5O10P
SMILES:   P(OCCOCn1c2N=C(NC(=O)c2nc1)N)(OCOC(=O)C(C)(C)C)(OCOC(=O)C(C)
(C)C)=O
InChI:   InChI=1/C20H32N5O10P/c1-19(2,3)16(27)31-11-34-36(29,35-12-32-17(28)20(4,5)6)33-8-7-30-10-25-9-22-13-14(25)23-18(21)24-15(13)26/h9H,7-8,10-12H2,1-6H3,(H3,21,23,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.03825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 533.475 g/mol  logS: -2.67729  SlogP: 0.9945  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143655  Sterimol/B1: 2.81596  Sterimol/B2: 4.9717  Sterimol/B3: 5.63402
  Sterimol/B4: 13.0704  Sterimol/L: 18.7754 
 
 Surface and Volume Properties
  Accessible surface: 877.247  Positive charged surface: 602.121  Negative charged surface: 275.125  Volume: 469.25
  Hydrophobic surface: 464.603  Hydrophilic surface: 412.644
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.