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ANALYTICONDISCOVERY-ZINC08297945

 MMsINC code: MMs00040042
Type: Neutral
Formula: C24H35N3O2
SMILES:   O=C1N2C(C3CC(CN(C3)C(=O)NC3CCCCC3)C2)=CC=C1C1CCCCC1
InChI:   InChI=1/C24H35N3O2/c28-23-21(18-7-3-1-4-8-18)11-12-22-19-13-17(15-27(22)23)14-26(16-19)24(29)25-20-9-5-2-6-10-20/h11-12,17-20H,1-10,13-16H2,(H,25,29)/t17-,19+/m0/s1

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Potential Energy
Epot(MMFF94)=40.2285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.563 g/mol  logS: -5.08536  SlogP: 4.2132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183525  Sterimol/B1: 2.36696  Sterimol/B2: 2.71879  Sterimol/B3: 5.68928
  Sterimol/B4: 10.1346  Sterimol/L: 13.7961 
 
 Surface and Volume Properties
  Accessible surface: 610.926  Positive charged surface: 489.861  Negative charged surface: 121.065  Volume: 402.125
  Hydrophobic surface: 571.275  Hydrophilic surface: 39.651
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.