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CHEMDIV-ZINC06900406

MMsINC code: MMs01058737

Type: Neutral
Formula: C24H27N3O3
SMILES:   O(C)c1cc2c3N(CCC(C)C)C(=O)N(C(=O)c3n(c2cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C24H27N3O3/c1-15(2)12-13-26-21-19-14-18(30-5)10-11-20(19)25(4)22(21)23(28)27(24(26)29)17-8-6-16(3)7-9-17/h6-11,14-15H,12-13H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=91.1108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.498 g/mol  logS: -5.97033  SlogP: 5.48742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0556061  Sterimol/B1: 3.55436  Sterimol/B2: 3.62732  Sterimol/B3: 6.62536
  Sterimol/B4: 6.67035  Sterimol/L: 18.8573 
 
 Surface and Volume Properties
  Accessible surface: 686.254  Positive charged surface: 470.138  Negative charged surface: 211.69  Volume: 400.625
  Hydrophobic surface: 590.834  Hydrophilic surface: 95.42
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.