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CHEMSTAR-ZINC03067703

 MMsINC code: MMs01082871
Type: Neutral
Formula: C23H29N3O4
SMILES:   O(C(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)N
InChI:   InChI=1/C23H29N3O4/c1-23(2,3)30-22(29)26-19(15-17-12-8-5-9-13-17)21(28)25-18(20(24)27)14-16-10-6-4-7-11-16/h4-13,18-19H,14-15H2,1-3H3,(H2,24,27)(H,25,28)(H,26,29)/t18-,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.502 g/mol  logS: -4.93143  SlogP: 2.33514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183883  Sterimol/B1: 3.21638  Sterimol/B2: 4.04516  Sterimol/B3: 6.21841
  Sterimol/B4: 7.46782  Sterimol/L: 15.1975 
 
 Surface and Volume Properties
  Accessible surface: 685.095  Positive charged surface: 426.83  Negative charged surface: 258.266  Volume: 405.75
  Hydrophobic surface: 492.431  Hydrophilic surface: 192.664
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.