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ENAMINE-ZINC03394332

 MMsINC code: MMs01415775
Type: Ionized
Formula: C8H15N4O4-
SMILES:   O=C([O-])C(NC(=O)N)CCCCNC(=O)N
InChI:   InChI=1/C8H16N4O4/c9-7(15)11-4-2-1-3-5(6(13)14)12-8(10)16/h5H,1-4H2,(H,13,14)(H3,9,11,15)(H3,10,12,16)/p-1/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-47.2407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.232 g/mol  logS: -0.6917  SlogP: -2.3882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0724331  Sterimol/B1: 2.87686  Sterimol/B2: 3.7213  Sterimol/B3: 4.83869
  Sterimol/B4: 4.9229  Sterimol/L: 13.3039 
 
 Surface and Volume Properties
  Accessible surface: 459.488  Positive charged surface: 305.995  Negative charged surface: 153.493  Volume: 207.75
  Hydrophobic surface: 127.496  Hydrophilic surface: 331.992
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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Parent related molecule:


MMs01415774
ENAMINE-ZINC03394332