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PUBCHEM-ZINC06409428

 MMsINC code: MMs03713061
Type: Ionized
Formula: C12H21N2O3-
SMILES:   O=C([O-])C(NC(=O)N1CCCCC1C)C(C)C
InChI:   InChI=1/C12H22N2O3/c1-8(2)10(11(15)16)13-12(17)14-7-5-4-6-9(14)3/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)/p-1/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=16.4413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.311 g/mol  logS: -1.56674  SlogP: 0.3449  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116437  Sterimol/B1: 1.99836  Sterimol/B2: 3.74617  Sterimol/B3: 3.99486
  Sterimol/B4: 6.8822  Sterimol/L: 12.6191 
 
 Surface and Volume Properties
  Accessible surface: 467.495  Positive charged surface: 325.191  Negative charged surface: 142.304  Volume: 245.25
  Hydrophobic surface: 321.002  Hydrophilic surface: 146.493
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs03713060
PUBCHEM-ZINC06409428