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NCID-ZINC01758861

 MMsINC code: MMs02366179
Type: Neutral
Formula: C25H27NO2
SMILES:   O(C(C(N(C)C)C)c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H27NO2/c1-19(26(2)3)24(22-17-11-6-12-18-22)28-25(27)23(20-13-7-4-8-14-20)21-15-9-5-10-16-21/h4-19,23-24H,1-3H3/t19-,24+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.496 g/mol  logS: -5.46354  SlogP: 5.1486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.220983  Sterimol/B1: 2.45321  Sterimol/B2: 3.98961  Sterimol/B3: 4.91211
  Sterimol/B4: 9.51777  Sterimol/L: 14.8279 
 
 Surface and Volume Properties
  Accessible surface: 654.757  Positive charged surface: 415.605  Negative charged surface: 239.153  Volume: 390.5
  Hydrophobic surface: 633.018  Hydrophilic surface: 21.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02366180
NCID-ZINC01758861