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NCID-ZINC01694825

 MMsINC code: MMs02325952
Type: Neutral
Formula: C10H21NO2
SMILES:   OC(=O)C(NCCCC)C(CC)C
InChI:   InChI=1/C10H21NO2/c1-4-6-7-11-9(10(12)13)8(3)5-2/h8-9,11H,4-7H2,1-3H3,(H,12,13)/t8-,9+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.9018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.283 g/mol  logS: -1.64349  SlogP: 1.8754  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103855  Sterimol/B1: 3.09717  Sterimol/B2: 3.4796  Sterimol/B3: 3.61505
  Sterimol/B4: 6.2288  Sterimol/L: 13.3001 
 
 Surface and Volume Properties
  Accessible surface: 437.315  Positive charged surface: 317.239  Negative charged surface: 120.076  Volume: 209.625
  Hydrophobic surface: 290.939  Hydrophilic surface: 146.376
 
 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.