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PUBCHEM-ZINC06358483

 MMsINC code: MMs03684887
Type: Neutral
Formula: C12H22N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCCC1)C(CC)C
InChI:   InChI=1/C12H22N2O3/c1-3-8(2)10(11(15)16)14-12(17)13-9-6-4-5-7-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t8-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=8.28435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.319 g/mol  logS: -1.80206  SlogP: 1.7275  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0963041  Sterimol/B1: 2.52446  Sterimol/B2: 3.32908  Sterimol/B3: 3.5609
  Sterimol/B4: 7.59527  Sterimol/L: 13.6736 
 
 Surface and Volume Properties
  Accessible surface: 492.065  Positive charged surface: 345.706  Negative charged surface: 146.358  Volume: 246
  Hydrophobic surface: 330.133  Hydrophilic surface: 161.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03684888
PUBCHEM-ZINC06358483