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NANOSIN-ZINC02025657

 MMsINC code: MMs02201603
Type: Neutral
Formula: C24H25NO2
SMILES:   O1C(=N\C(=C\C=C\c2ccccc2)\C1=O)c1ccc(cc1)CCCCCC
InChI:   InChI=1/C24H25NO2/c1-2-3-4-6-12-20-15-17-21(18-16-20)23-25-22(24(26)27-23)14-9-13-19-10-7-5-8-11-19/h5,7-11,13-18H,2-4,6,12H2,1H3/b13-9+,22-14-

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Potential Energy
Epot(MMFF94)=79.1563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.469 g/mol  logS: -8.9263  SlogP: 5.71007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0245382  Sterimol/B1: 2.20888  Sterimol/B2: 4.0702  Sterimol/B3: 5.12782
  Sterimol/B4: 8.65055  Sterimol/L: 22.3105 
 
 Surface and Volume Properties
  Accessible surface: 709.563  Positive charged surface: 427.929  Negative charged surface: 281.634  Volume: 377.75
  Hydrophobic surface: 606.186  Hydrophilic surface: 103.377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02201604
NANOSIN-ZINC02025657