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NCID-ZINC01605721

 MMsINC code: MMs02257894
Type: Neutral
Formula: C11H22N2O3
SMILES:   OC(=O)C(NC(=O)C(N)C(C)C)CC(C)C
InChI:   InChI=1/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.5301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -1.74048  SlogP: 0.5852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135348  Sterimol/B1: 2.47947  Sterimol/B2: 2.55838  Sterimol/B3: 4.13847
  Sterimol/B4: 7.53143  Sterimol/L: 11.9705 
 
 Surface and Volume Properties
  Accessible surface: 460.686  Positive charged surface: 317.107  Negative charged surface: 143.579  Volume: 237
  Hydrophobic surface: 226.762  Hydrophilic surface: 233.924
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: no related molecules available.