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ENAMINE-ZINC03567750

 MMsINC code: MMs01512408
Type: Neutral
Formula: C23H28N2O5
SMILES:   O=C1N(C2CCCCC2)C(=O)c2c1cc(cc2)C(OCC(=O)N1CCC(CC1)C)=O
InChI:   InChI=1/C23H28N2O5/c1-15-9-11-24(12-10-15)20(26)14-30-23(29)16-7-8-18-19(13-16)22(28)25(21(18)27)17-5-3-2-4-6-17/h7-8,13,15,17H,2-6,9-12,14H2,1H3

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Potential Energy
Epot(MMFF94)=60.8505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.486 g/mol  logS: -5.12355  SlogP: 3.0306  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.023522  Sterimol/B1: 2.6627  Sterimol/B2: 3.66703  Sterimol/B3: 4.72075
  Sterimol/B4: 4.77692  Sterimol/L: 23.4225 
 
 Surface and Volume Properties
  Accessible surface: 708.077  Positive charged surface: 491.815  Negative charged surface: 216.261  Volume: 391.25
  Hydrophobic surface: 545.404  Hydrophilic surface: 162.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.