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PUBCHEM-ZINC00321410

MMsINC code: MMs02653448

Type: Neutral
Formula: C14H24N2O
SMILES:   O=C(N(Cc1n(ccc1)C)CCC)C(C)(C)C
InChI:   InChI=1/C14H24N2O/c1-6-9-16(13(17)14(2,3)4)11-12-8-7-10-15(12)5/h7-8,10H,6,9,11H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=96.7846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.359 g/mol  logS: -1.05682  SlogP: 3.4354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182207  Sterimol/B1: 2.20409  Sterimol/B2: 3.62638  Sterimol/B3: 3.96727
  Sterimol/B4: 8.17037  Sterimol/L: 11.6684 
 
 Surface and Volume Properties
  Accessible surface: 469.206  Positive charged surface: 322.895  Negative charged surface: 146.312  Volume: 260.125
  Hydrophobic surface: 352.508  Hydrophilic surface: 116.698
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.