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NCID-ZINC01755673

 MMsINC code: MMs02364473
Type: Neutral
Formula: C11H23NO2
SMILES:   O(C(=O)CC(C)(C)C)CCCN(C)C
InChI:   InChI=1/C11H23NO2/c1-11(2,3)9-10(13)14-8-6-7-12(4)5/h6-9H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.4254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.31 g/mol  logS: -1.85316  SlogP: 1.9175  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0516921  Sterimol/B1: 1.969  Sterimol/B2: 3.43865  Sterimol/B3: 3.48954
  Sterimol/B4: 4.65346  Sterimol/L: 15.7358 
 
 Surface and Volume Properties
  Accessible surface: 472.458  Positive charged surface: 390.458  Negative charged surface: 82  Volume: 226.5
  Hydrophobic surface: 394.137  Hydrophilic surface: 78.321
 
 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


MMs02364474
NCID-ZINC01755673