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APOLLO-ZINC02562350

 MMsINC code: MMs00053937
Type: Neutral
Formula: C4H14N3PS
SMILES:   S=P(NCCCC)(N)N
InChI:   InChI=1/C4H14N3PS/c1-2-3-4-7-8(5,6)9/h2-4H2,1H3,(H5,5,6,7,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-74.9132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.217 g/mol  logS: -1.26887  SlogP: 0.518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103271  Sterimol/B1: 2.4325  Sterimol/B2: 3.2867  Sterimol/B3: 3.55122
  Sterimol/B4: 4.67924  Sterimol/L: 11.9762 
 
 Surface and Volume Properties
  Accessible surface: 367.054  Positive charged surface: 238.717  Negative charged surface: 128.338  Volume: 159
  Hydrophobic surface: 145.721  Hydrophilic surface: 221.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.