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PUBCHEM-ZINC05386356

 MMsINC code: MMs03254967
Type: Neutral
Formula: C15H26N3O7P
SMILES:   P(OCC)(OCC)(=O)c1ncn(c1N)C1OC(C2OC(OC12)(C)C)CO
InChI:   InChI=1/C15H26N3O7P/c1-5-21-26(20,22-6-2)13-12(16)18(8-17-13)14-11-10(9(7-19)23-14)24-15(3,4)25-11/h8-11,14,19H,5-7,16H2,1-4H3/t9-,10+,11+,14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.361 g/mol  logS: -2.04546  SlogP: -0.2082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0991345  Sterimol/B1: 2.09209  Sterimol/B2: 4.10441  Sterimol/B3: 4.20534
  Sterimol/B4: 8.18579  Sterimol/L: 15.8268 
 
 Surface and Volume Properties
  Accessible surface: 650.776  Positive charged surface: 467.057  Negative charged surface: 183.72  Volume: 347.75
  Hydrophobic surface: 407.74  Hydrophilic surface: 243.036
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.