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CHEMDIV-ZINC06737875

 MMsINC code: MMs01006141
Type: Neutral
Formula: C24H25N3O3
SMILES:   O1CCN(CC1)c1c2c3c(noc3-c3c(cccc3)C2=O)c(N2CC(CCC2)C)c1
InChI:   InChI=1/C24H25N3O3/c1-15-5-4-8-27(14-15)19-13-18(26-9-11-29-12-10-26)20-21-22(19)25-30-24(21)17-7-3-2-6-16(17)23(20)28/h2-3,6-7,13,15H,4-5,8-12,14H2,1H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=256.954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.482 g/mol  logS: -5.80262  SlogP: 4.1121  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109918  Sterimol/B1: 2.41425  Sterimol/B2: 4.76741  Sterimol/B3: 6.09314
  Sterimol/B4: 7.61811  Sterimol/L: 16.7398 
 
 Surface and Volume Properties
  Accessible surface: 647.336  Positive charged surface: 468.076  Negative charged surface: 174.251  Volume: 383.625
  Hydrophobic surface: 539.947  Hydrophilic surface: 107.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.