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PUBCHEM-ZINC06204073

 MMsINC code: MMs03611666
Type: Neutral
Formula: C12H24N2O3
SMILES:   OC(=O)C(NC(=O)NCC(CCCC)CC)C
InChI:   InChI=1/C12H24N2O3/c1-4-6-7-10(5-2)8-13-12(17)14-9(3)11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17)/t9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=2.76226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.335 g/mol  logS: -2.71901  SlogP: 1.9751  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0478726  Sterimol/B1: 2.45194  Sterimol/B2: 3.35356  Sterimol/B3: 3.74709
  Sterimol/B4: 5.07549  Sterimol/L: 17.6169 
 
 Surface and Volume Properties
  Accessible surface: 524.673  Positive charged surface: 369.26  Negative charged surface: 155.412  Volume: 254.375
  Hydrophobic surface: 310.88  Hydrophilic surface: 213.793
 
 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


MMs03611667
PUBCHEM-ZINC06204073