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PUBCHEM-ZINC03617486

 MMsINC code: MMs03023504
Type: Neutral
Formula: C12H25NO2
SMILES:   O(C(=O)C(CCC)CCC)CCN(C)C
InChI:   InChI=1/C12H25NO2/c1-5-7-11(8-6-2)12(14)15-10-9-13(3)4/h11H,5-10H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.2342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.337 g/mol  logS: -2.36838  SlogP: 2.3076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0802679  Sterimol/B1: 3.16669  Sterimol/B2: 3.49158  Sterimol/B3: 3.69669
  Sterimol/B4: 5.80516  Sterimol/L: 14.7293 
 
 Surface and Volume Properties
  Accessible surface: 482.789  Positive charged surface: 407.912  Negative charged surface: 74.8776  Volume: 246.875
  Hydrophobic surface: 410.882  Hydrophilic surface: 71.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03023505
PUBCHEM-ZINC03617486