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NCID-ZINC04613998

 MMsINC code: MMs02392047
Type: Neutral
Formula: C24H44N4O2
SMILES:   O=C(NCCCN1CCN(CC1)CCCNC(=O)C1CCCCC1)C1CCCCC1
InChI:   InChI=1/C24H44N4O2/c29-23(21-9-3-1-4-10-21)25-13-7-15-27-17-19-28(20-18-27)16-8-14-26-24(30)22-11-5-2-6-12-22/h21-22H,1-20H2,(H,25,29)(H,26,30)

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Potential Energy
Epot(MMFF94)=49.268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.642 g/mol  logS: -3.99288  SlogP: 2.7772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0225239  Sterimol/B1: 2.44918  Sterimol/B2: 3.49901  Sterimol/B3: 4.28844
  Sterimol/B4: 9.30466  Sterimol/L: 25.1163 
 
 Surface and Volume Properties
  Accessible surface: 810.39  Positive charged surface: 686.751  Negative charged surface: 123.64  Volume: 450.625
  Hydrophobic surface: 731.667  Hydrophilic surface: 78.723
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02392048
NCID-ZINC04613998