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NCID-ZINC01733449

 MMsINC code: MMs02355920
Type: Neutral
Formula: C10H19NO2
SMILES:   O1C(CN(CC1C)C(=O)CCC)C
InChI:   InChI=1/C10H19NO2/c1-4-5-10(12)11-6-8(2)13-9(3)7-11/h8-9H,4-7H2,1-3H3/t8-,9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.1813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.32737  SlogP: 1.4223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0714223  Sterimol/B1: 2.71536  Sterimol/B2: 3.34352  Sterimol/B3: 4.34295
  Sterimol/B4: 4.8156  Sterimol/L: 13.0792 
 
 Surface and Volume Properties
  Accessible surface: 421.658  Positive charged surface: 322.451  Negative charged surface: 99.2073  Volume: 199.375
  Hydrophobic surface: 316.8  Hydrophilic surface: 104.858
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.