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ENAMINE-ZINC03454864

 MMsINC code: MMs01453347
Type: Neutral
Formula: C20H23NO2
SMILES:   O(CC(=O)NC1CCCc2c1cccc2)c1cccc(C)c1C
InChI:   InChI=1/C20H23NO2/c1-14-7-5-12-19(15(14)2)23-13-20(22)21-18-11-6-9-16-8-3-4-10-17(16)18/h3-5,7-8,10,12,18H,6,9,11,13H2,1-2H3,(H,21,22)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.409 g/mol  logS: -4.91098  SlogP: 3.97151  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.063552  Sterimol/B1: 3.16157  Sterimol/B2: 4.39676  Sterimol/B3: 4.436
  Sterimol/B4: 5.08486  Sterimol/L: 17.2333 
 
 Surface and Volume Properties
  Accessible surface: 588.875  Positive charged surface: 378.648  Negative charged surface: 210.227  Volume: 317.375
  Hydrophobic surface: 549.539  Hydrophilic surface: 39.336
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.