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NCID-ZINC01654518

 MMsINC code: MMs02293205
Type: Neutral
Formula: C15H18N2O2
SMILES:   O(C(=O)c1[nH]c2c(c1)cccc2)CCN1CCCC1
InChI:   InChI=1/C15H18N2O2/c18-15(19-10-9-17-7-3-4-8-17)14-11-12-5-1-2-6-13(12)16-14/h1-2,5-6,11,16H,3-4,7-10H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.8542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.321 g/mol  logS: -2.6597  SlogP: 2.4205  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607041  Sterimol/B1: 3.29592  Sterimol/B2: 3.57365  Sterimol/B3: 3.99327
  Sterimol/B4: 5.29117  Sterimol/L: 16.0957 
 
 Surface and Volume Properties
  Accessible surface: 526.699  Positive charged surface: 358.752  Negative charged surface: 162.382  Volume: 260.125
  Hydrophobic surface: 459.221  Hydrophilic surface: 67.478
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02293206
NCID-ZINC01654518