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CHEMBRIDGE-ZINC03001905

 MMsINC code: MMs00750303
Type: Neutral
Formula: C26H23ClN2O3
SMILES:   Clc1ccc(N(C(=O)c2cc(ccc2)C)CCCCN2C(=O)c3c(cccc3)C2=O)cc1
InChI:   InChI=1/C26H23ClN2O3/c1-18-7-6-8-19(17-18)24(30)28(21-13-11-20(27)12-14-21)15-4-5-16-29-25(31)22-9-2-3-10-23(22)26(29)32/h2-3,6-14,17H,4-5,15-16H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=175.92 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 446.934 g/mol  logS: -7.20482  SlogP: 5.37162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0325103  Sterimol/B1: 2.4219  Sterimol/B2: 2.55566  Sterimol/B3: 4.04169
  Sterimol/B4: 13.4243  Sterimol/L: 17.4309 
 
 Surface and Volume Properties
  Accessible surface: 724.303  Positive charged surface: 371.803  Negative charged surface: 352.5  Volume: 419.5
  Hydrophobic surface: 627.026  Hydrophilic surface: 97.277
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.