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PUBCHEM-ZINC06224713

 MMsINC code: MMs03619740
Type: Neutral
Formula: C14H27N3O4
SMILES:   O1CCN(CC1)CCNC(=O)NC(C(CC)C)C(OC)=O
InChI:   InChI=1/C14H27N3O4/c1-4-11(2)12(13(18)20-3)16-14(19)15-5-6-17-7-9-21-10-8-17/h11-12H,4-10H2,1-3H3,(H2,15,16,19)/t11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=51.6529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.387 g/mol  logS: -1.44784  SlogP: 0.2055  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0538466  Sterimol/B1: 2.08326  Sterimol/B2: 2.54642  Sterimol/B3: 5.02557
  Sterimol/B4: 7.48447  Sterimol/L: 17.7715 
 
 Surface and Volume Properties
  Accessible surface: 586.85  Positive charged surface: 483.013  Negative charged surface: 103.837  Volume: 302
  Hydrophobic surface: 445.891  Hydrophilic surface: 140.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03619741
PUBCHEM-ZINC06224713