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ENAMINE-ZINC03282525

 MMsINC code: MMs01348765
Type: Tautomer
Formula: C13H23N5O3
SMILES:   O1CCN(CC1)CCNC=1C(=O)NC(=O)N(CCC)C=1N
InChI:   InChI=1/C13H23N5O3/c1-2-4-18-11(14)10(12(19)16-13(18)20)15-3-5-17-6-8-21-9-7-17/h15H,2-9,14H2,1H3,(H,16,19,20)

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Potential Energy
Epot(MMFF94)=60.1879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.359 g/mol  logS: -0.90402  SlogP: -1.0022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0406776  Sterimol/B1: 2.52833  Sterimol/B2: 2.7233  Sterimol/B3: 3.6051
  Sterimol/B4: 5.58707  Sterimol/L: 17.3628 
 
 Surface and Volume Properties
  Accessible surface: 543.753  Positive charged surface: 438.663  Negative charged surface: 105.09  Volume: 281.125
  Hydrophobic surface: 348.085  Hydrophilic surface: 195.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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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Parent related molecule:


MMs01348764
ENAMINE-ZINC03282525