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IBS-ZINC02338991

 MMsINC code: MMs01836709
Type: Neutral
Formula: C24H27N3O5
SMILES:   O(C)c1c(OC)cc(cc1OC)C1N(CCCC)C(=O)c2n[nH]c(c12)-c1ccccc1O
InChI:   InChI=1/C24H27N3O5/c1-5-6-11-27-22(14-12-17(30-2)23(32-4)18(13-14)31-3)19-20(25-26-21(19)24(27)29)15-9-7-8-10-16(15)28/h7-10,12-13,22,28H,5-6,11H2,1-4H3,(H,25,26)/t22-/m1/s1

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Potential Energy
Epot(MMFF94)=159.927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 437.496 g/mol  logS: -5.13285  SlogP: 4.2489  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.271487  Sterimol/B1: 4.1998  Sterimol/B2: 5.64056  Sterimol/B3: 6.04947
  Sterimol/B4: 6.73301  Sterimol/L: 15.5966 
 
 Surface and Volume Properties
  Accessible surface: 674.752  Positive charged surface: 510.58  Negative charged surface: 164.172  Volume: 416.625
  Hydrophobic surface: 491.628  Hydrophilic surface: 183.124
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  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.