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ENAMINE-ZINC03370706

 MMsINC code: MMs01401607
Type: Neutral
Formula: C24H30N2O3
SMILES:   O(C(=O)c1ccccc1Nc1cccc(C)c1C)CC(=O)NC1CCCCC1C
InChI:   InChI=1/C24H30N2O3/c1-16-10-8-14-21(18(16)3)25-22-13-7-5-11-19(22)24(28)29-15-23(27)26-20-12-6-4-9-17(20)2/h5,7-8,10-11,13-14,17,20,25H,4,6,9,12,15H2,1-3H3,(H,26,27)/t17-,20+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.515 g/mol  logS: -5.8668  SlogP: 4.89874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0912327  Sterimol/B1: 2.28803  Sterimol/B2: 3.88004  Sterimol/B3: 4.8396
  Sterimol/B4: 10.9288  Sterimol/L: 16.5431 
 
 Surface and Volume Properties
  Accessible surface: 701.888  Positive charged surface: 466.029  Negative charged surface: 235.859  Volume: 401.125
  Hydrophobic surface: 625.535  Hydrophilic surface: 76.353
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.