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NCID-ZINC04934230

 MMsINC code: MMs02417037
Type: Neutral
Formula: C24H32Cl2N6O2
SMILES:   Clc1ccccc1NC(=O)NCCCN1CCN(CC1)CCCNC(=O)Nc1ccccc1Cl
InChI:   InChI=1/C24H32Cl2N6O2/c25-19-7-1-3-9-21(19)29-23(33)27-11-5-13-31-15-17-32(18-16-31)14-6-12-28-24(34)30-22-10-4-2-8-20(22)26/h1-4,7-10H,5-6,11-18H2,(H2,27,29,33)(H2,28,30,34)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.3811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 507.466 g/mol  logS: -5.08258  SlogP: 4.3344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0227603  Sterimol/B1: 3.19639  Sterimol/B2: 3.48647  Sterimol/B3: 6.17822
  Sterimol/B4: 7.19346  Sterimol/L: 28.3228 
 
 Surface and Volume Properties
  Accessible surface: 865.444  Positive charged surface: 560.146  Negative charged surface: 305.298  Volume: 472.125
  Hydrophobic surface: 748.647  Hydrophilic surface: 116.797
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02417038
NCID-ZINC04934230