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NCID-ZINC01755595

 MMsINC code: MMs02364422
Type: Neutral
Formula: C13H23NO2
SMILES:   O=C(C(C(=O)N1CCCCC1)(C)C)C(C)C
InChI:   InChI=1/C13H23NO2/c1-10(2)11(15)13(3,4)12(16)14-8-6-5-7-9-14/h10H,5-9H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.6556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.332 g/mol  logS: -1.43898  SlogP: 2.2502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166414  Sterimol/B1: 1.969  Sterimol/B2: 3.44676  Sterimol/B3: 3.63916
  Sterimol/B4: 7.00551  Sterimol/L: 12.248 
 
 Surface and Volume Properties
  Accessible surface: 433.841  Positive charged surface: 315.523  Negative charged surface: 118.318  Volume: 238.75
  Hydrophobic surface: 333.761  Hydrophilic surface: 100.08
 
 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: no related molecules available.