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PUBCHEM-ZINC03645464

 MMsINC code: MMs03032655
Type: Neutral
Formula: C10H18N4O4
SMILES:   O=C1NCCN1C(=O)NCCCCC(N)C(O)=O
InChI:   InChI=1/C10H18N4O4/c11-7(8(15)16)3-1-2-4-12-9(17)14-6-5-13-10(14)18/h7H,1-6,11H2,(H,12,17)(H,13,18)(H,15,16)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=7.68732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.278 g/mol  logS: -0.16822  SlogP: -0.6966  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0316621  Sterimol/B1: 2.3049  Sterimol/B2: 2.8355  Sterimol/B3: 3.13926
  Sterimol/B4: 5.14822  Sterimol/L: 16.5269 
 
 Surface and Volume Properties
  Accessible surface: 502.569  Positive charged surface: 369.053  Negative charged surface: 133.516  Volume: 235.375
  Hydrophobic surface: 234.817  Hydrophilic surface: 267.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.