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ANALYTICONDISCOVERY-ZINC05437485

 MMsINC code: MMs00038153
Type: Neutral
Formula: C24H39N5O4
SMILES:   O=C1NCCCC1NC(=O)C1N(CCN(C1)C(=O)NC1CCCCC1)C(=O)C1CCCCC1
InChI:   InChI=1/C24H39N5O4/c30-21-19(12-7-13-25-21)27-22(31)20-16-28(24(33)26-18-10-5-2-6-11-18)14-15-29(20)23(32)17-8-3-1-4-9-17/h17-20H,1-16H2,(H,25,30)(H,26,33)(H,27,31)/t19-,20+/m0/s1

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Potential Energy
Epot(MMFF94)=101.699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 461.607 g/mol  logS: -3.93694  SlogP: 1.5166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0539515  Sterimol/B1: 2.9597  Sterimol/B2: 3.72085  Sterimol/B3: 4.00592
  Sterimol/B4: 11.693  Sterimol/L: 18.3698 
 
 Surface and Volume Properties
  Accessible surface: 749.553  Positive charged surface: 591.91  Negative charged surface: 157.644  Volume: 445.625
  Hydrophobic surface: 619.87  Hydrophilic surface: 129.683
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.