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CHEMDIV-ZINC00219685

 MMsINC code: MMs00843008
Type: Neutral
Formula: C18H24N2O2
SMILES:   O=C1N(C(CC1)C(=O)NC(C)c1ccccc1)C1CCCC1
InChI:   InChI=1/C18H24N2O2/c1-13(14-7-3-2-4-8-14)19-18(22)16-11-12-17(21)20(16)15-9-5-6-10-15/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3,(H,19,22)/t13-,16+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.6028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.402 g/mol  logS: -3.11325  SlogP: 2.8929  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10321  Sterimol/B1: 2.11352  Sterimol/B2: 4.54369  Sterimol/B3: 4.57482
  Sterimol/B4: 5.92484  Sterimol/L: 16.3093 
 
 Surface and Volume Properties
  Accessible surface: 558.692  Positive charged surface: 370.582  Negative charged surface: 188.11  Volume: 308.125
  Hydrophobic surface: 498.685  Hydrophilic surface: 60.007
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.