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PUBCHEM-ZINC06580673

 MMsINC code: MMs03807203
Type: Neutral
Formula: C19H20N2O2
SMILES:   OC1C2N(C2Cc2ccccc2)C(=O)NC1Cc1ccccc1
InChI:   InChI=1/C19H20N2O2/c22-18-15(11-13-7-3-1-4-8-13)20-19(23)21-16(17(18)21)12-14-9-5-2-6-10-14/h1-10,15-18,22H,11-12H2,(H,20,23)/t15-,16-,17-,18+,21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.027 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.381 g/mol  logS: -3.25222  SlogP: 1.97724  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0445611  Sterimol/B1: 2.58828  Sterimol/B2: 3.05612  Sterimol/B3: 3.81606
  Sterimol/B4: 6.25845  Sterimol/L: 17.1203 
 
 Surface and Volume Properties
  Accessible surface: 547.74  Positive charged surface: 315.203  Negative charged surface: 232.538  Volume: 304.625
  Hydrophobic surface: 452.828  Hydrophilic surface: 94.912
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.