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NCID-ZINC05706797

 MMsINC code: MMs02487566
Type: Neutral
Formula: C23H28N2O5
SMILES:   O(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCC)C(O)=O
InChI:   InChI=1/C23H28N2O5/c1-2-3-14-19(22(27)28)24-21(26)20(15-17-10-6-4-7-11-17)25-23(29)30-16-18-12-8-5-9-13-18/h4-13,19-20H,2-3,14-16H2,1H3,(H,24,26)(H,25,29)(H,27,28)/t19-,20+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.9712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.486 g/mol  logS: -5.16503  SlogP: 3.55007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0777251  Sterimol/B1: 2.43399  Sterimol/B2: 4.86768  Sterimol/B3: 6.24261
  Sterimol/B4: 7.49838  Sterimol/L: 19.248 
 
 Surface and Volume Properties
  Accessible surface: 725.271  Positive charged surface: 451.642  Negative charged surface: 273.629  Volume: 403.625
  Hydrophobic surface: 541.817  Hydrophilic surface: 183.454
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02487567
NCID-ZINC05706797