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PUBCHEM-ZINC00536579

 MMsINC code: MMs02700504
Type: Ionized
Formula: C12H21N2O3-
SMILES:   O=C([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)/p-1/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=9.89961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.311 g/mol  logS: -1.75475  SlogP: 0.2024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142719  Sterimol/B1: 2.52142  Sterimol/B2: 2.97132  Sterimol/B3: 5.10604
  Sterimol/B4: 5.11247  Sterimol/L: 13.6576 
 
 Surface and Volume Properties
  Accessible surface: 469.604  Positive charged surface: 328.543  Negative charged surface: 141.061  Volume: 244.5
  Hydrophobic surface: 311.914  Hydrophilic surface: 157.69
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs02700503
PUBCHEM-ZINC00536579