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PUBCHEM-ZINC06694494

 MMsINC code: MMs03842590
Type: Neutral
Formula: C13H20N4O3
SMILES:   OCC(NC(=O)c1[nH]cnc1)C(=O)N1CCCCCC1
InChI:   InChI=1/C13H20N4O3/c18-8-11(16-12(19)10-7-14-9-15-10)13(20)17-5-3-1-2-4-6-17/h7,9,11,18H,1-6,8H2,(H,14,15)(H,16,19)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=46.1284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.328 g/mol  logS: -1.10811  SlogP: -0.097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148242  Sterimol/B1: 2.47027  Sterimol/B2: 3.60897  Sterimol/B3: 4.95591
  Sterimol/B4: 5.37127  Sterimol/L: 14.2721 
 
 Surface and Volume Properties
  Accessible surface: 510.593  Positive charged surface: 391.807  Negative charged surface: 118.786  Volume: 265.25
  Hydrophobic surface: 359.211  Hydrophilic surface: 151.382
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.