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CHEMSTAR-ZINC04014585

 MMsINC code: MMs01086556
Type: Neutral
Formula: C24H36N2O2
SMILES:   O=C(N(C(=O)NC1CCCCC1)C1CCCCC1)CCC(C)c1ccccc1
InChI:   InChI=1/C24H36N2O2/c1-19(20-11-5-2-6-12-20)17-18-23(27)26(22-15-9-4-10-16-22)24(28)25-21-13-7-3-8-14-21/h2,5-6,11-12,19,21-22H,3-4,7-10,13-18H2,1H3,(H,25,28)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.5957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.564 g/mol  logS: -5.56966  SlogP: 5.7739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0655335  Sterimol/B1: 2.28837  Sterimol/B2: 5.07315  Sterimol/B3: 5.22422
  Sterimol/B4: 5.99176  Sterimol/L: 19.5221 
 
 Surface and Volume Properties
  Accessible surface: 702.79  Positive charged surface: 492.326  Negative charged surface: 210.463  Volume: 407.125
  Hydrophobic surface: 631.354  Hydrophilic surface: 71.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.