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CHEMDIV-ZINC04115440

 MMsINC code: MMs00927499
Type: Neutral
Formula: C24H35N3O4
SMILES:   O1CCCC1CN(C(CC)(C(=O)NC1CCCC1)C)C(=O)CNC(=O)c1ccccc1
InChI:   InChI=1/C24H35N3O4/c1-3-24(2,23(30)26-19-12-7-8-13-19)27(17-20-14-9-15-31-20)21(28)16-25-22(29)18-10-5-4-6-11-18/h4-6,10-11,19-20H,3,7-9,12-17H2,1-2H3,(H,25,29)(H,26,30)/t20-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.561 g/mol  logS: -4.27729  SlogP: 2.6515  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0818983  Sterimol/B1: 1.969  Sterimol/B2: 2.41212  Sterimol/B3: 6.04924
  Sterimol/B4: 9.07659  Sterimol/L: 19.5056 
 
 Surface and Volume Properties
  Accessible surface: 708.407  Positive charged surface: 478.345  Negative charged surface: 230.062  Volume: 429.125
  Hydrophobic surface: 600.239  Hydrophilic surface: 108.168
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.