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PUBCHEM-ZINC06379194

 MMsINC code: MMs03692457
Type: Neutral
Formula: C23H28N2O3
SMILES:   OCC(NC(=O)C1(CCCC1)c1ccccc1)C(=O)N(Cc1ccccc1)C
InChI:   InChI=1/C23H28N2O3/c1-25(16-18-10-4-2-5-11-18)21(27)20(17-26)24-22(28)23(14-8-9-15-23)19-12-6-3-7-13-19/h2-7,10-13,20,26H,8-9,14-17H2,1H3,(H,24,28)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.488 g/mol  logS: -4.55636  SlogP: 2.9005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112197  Sterimol/B1: 2.61911  Sterimol/B2: 2.70226  Sterimol/B3: 5.25821
  Sterimol/B4: 8.31064  Sterimol/L: 16.2298 
 
 Surface and Volume Properties
  Accessible surface: 639.115  Positive charged surface: 421.7  Negative charged surface: 217.416  Volume: 383.75
  Hydrophobic surface: 559.844  Hydrophilic surface: 79.271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.