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ACROSORGANICS-ZINC04262199

 MMsINC code: MMs00017316
Type: Neutral
Formula: C6H11NO2
SMILES:   OC(=O)C1NCCC1C
InChI:   InChI=1/C6H11NO2/c1-4-2-3-7-5(4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.8392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.159 g/mol  logS: -0.10747  SlogP: 0.069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.205454  Sterimol/B1: 2.20674  Sterimol/B2: 2.8597  Sterimol/B3: 3.13464
  Sterimol/B4: 5.63917  Sterimol/L: 9.05823 
 
 Surface and Volume Properties
  Accessible surface: 304.499  Positive charged surface: 220.736  Negative charged surface: 83.7637  Volume: 128.625
  Hydrophobic surface: 168.013  Hydrophilic surface: 136.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.