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PUBCHEM-ZINC02047399

 MMsINC code: MMs02865371
Type: Neutral
Formula: C10H22N4O4
SMILES:   OC(=O)CC(C(N)(CCC(O)=O)CN)C(N)CN
InChI:   InChI=1/C10H22N4O4/c11-4-7(13)6(3-9(17)18)10(14,5-12)2-1-8(15)16/h6-7H,1-5,11-14H2,(H,15,16)(H,17,18)/t6-,7-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=101.386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.31 g/mol  logS: 1.6104  SlogP: -2.1157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.419371  Sterimol/B1: 4.03941  Sterimol/B2: 4.52514  Sterimol/B3: 5.26124
  Sterimol/B4: 5.39114  Sterimol/L: 12.1013 
 
 Surface and Volume Properties
  Accessible surface: 453.207  Positive charged surface: 317.243  Negative charged surface: 135.964  Volume: 238.125
  Hydrophobic surface: 88.3081  Hydrophilic surface: 364.8989
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.