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ENAMINE-ZINC03367062

 MMsINC code: MMs01399276
Type: Neutral
Formula: C20H18N2O5
SMILES:   O=C1N(CCc2ccccc2)C(=O)c2c1cc(cc2)C(OC(C(=O)N)C)=O
InChI:   InChI=1/C20H18N2O5/c1-12(17(21)23)27-20(26)14-7-8-15-16(11-14)19(25)22(18(15)24)10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H2,21,23)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=64.2029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.373 g/mol  logS: -4.7516  SlogP: 1.55587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210996  Sterimol/B1: 2.04432  Sterimol/B2: 3.27895  Sterimol/B3: 4.45066
  Sterimol/B4: 5.22955  Sterimol/L: 21.3093 
 
 Surface and Volume Properties
  Accessible surface: 646.486  Positive charged surface: 365.902  Negative charged surface: 280.584  Volume: 336.75
  Hydrophobic surface: 414.984  Hydrophilic surface: 231.502
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.