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PUBCHEM-ZINC04202757

 MMsINC code: MMs03099016
Type: Neutral
Formula: C10H19NO2
SMILES:   O(C(=O)C1CCNCC1)C(C)(C)C
InChI:   InChI=1/C10H19NO2/c1-10(2,3)13-9(12)8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.1417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.05614  SlogP: 1.3277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119296  Sterimol/B1: 1.969  Sterimol/B2: 3.78055  Sterimol/B3: 3.79437
  Sterimol/B4: 4.65927  Sterimol/L: 11.9589 
 
 Surface and Volume Properties
  Accessible surface: 408.796  Positive charged surface: 320.335  Negative charged surface: 88.461  Volume: 196
  Hydrophobic surface: 309.558  Hydrophilic surface: 99.238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03099017
PUBCHEM-ZINC04202757