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PUBCHEM-ZINC06409428

 MMsINC code: MMs03713060
Type: Neutral
Formula: C12H22N2O3
SMILES:   OC(=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)/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=46.2199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.319 g/mol  logS: -1.30629  SlogP: 1.6796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110163  Sterimol/B1: 2.06432  Sterimol/B2: 2.90338  Sterimol/B3: 4.49375
  Sterimol/B4: 6.73632  Sterimol/L: 13.0218 
 
 Surface and Volume Properties
  Accessible surface: 464.376  Positive charged surface: 347.244  Negative charged surface: 117.132  Volume: 243
  Hydrophobic surface: 321.336  Hydrophilic surface: 143.04
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03713061
PUBCHEM-ZINC06409428