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PUBCHEM-ZINC00252387

 MMsINC code: MMs02645700
Type: Neutral
Formula: C13H24N2O3
SMILES:   O(C(=O)C1CCN(CC1)C(=O)C(N)CCC)CC
InChI:   InChI=1/C13H24N2O3/c1-3-5-11(14)12(16)15-8-6-10(7-9-15)13(17)18-4-2/h10-11H,3-9,14H2,1-2H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=36.245 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -1.43692  SlogP: 0.9155  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0765689  Sterimol/B1: 2.30978  Sterimol/B2: 2.68746  Sterimol/B3: 4.27877
  Sterimol/B4: 8.00052  Sterimol/L: 14.6195 
 
 Surface and Volume Properties
  Accessible surface: 518.463  Positive charged surface: 399.193  Negative charged surface: 119.27  Volume: 263.875
  Hydrophobic surface: 361.215  Hydrophilic surface: 157.248
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02645701
PUBCHEM-ZINC00252387