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PUBCHEM-ZINC00536579

 MMsINC code: MMs02700503
Type: Neutral
Formula: C12H22N2O3
SMILES:   OC(=O)C(NC(=O)N1CCC(CC1)C)C(C)C
InChI:   InChI=1/C12H22N2O3/c1-8(2)10(11(15)16)13-12(17)14-6-4-9(3)5-7-14/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=20.7217 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.319 g/mol  logS: -1.4943  SlogP: 1.5371  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0888098  Sterimol/B1: 2.99527  Sterimol/B2: 3.17721  Sterimol/B3: 4.10135
  Sterimol/B4: 5.02739  Sterimol/L: 13.8448 
 
 Surface and Volume Properties
  Accessible surface: 475.676  Positive charged surface: 349.971  Negative charged surface: 125.705  Volume: 244.75
  Hydrophobic surface: 315.14  Hydrophilic surface: 160.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02700504
PUBCHEM-ZINC00536579