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CHEMBRIDGE-ZINC01095036

 MMsINC code: MMs00660172
Type: Neutral
Formula: C25H24N2O3
SMILES:   O1CCCC1CNC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H24N2O3/c28-24(26-18-21-14-9-17-30-21)22-15-7-8-16-23(22)25(29)27(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-8,10-13,15-16,21H,9,14,17-18H2,(H,26,28)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=162.022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.478 g/mol  logS: -5.91389  SlogP: 4.5739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120524  Sterimol/B1: 2.19569  Sterimol/B2: 3.71749  Sterimol/B3: 6.15905
  Sterimol/B4: 9.36553  Sterimol/L: 16.4888 
 
 Surface and Volume Properties
  Accessible surface: 676.162  Positive charged surface: 435.988  Negative charged surface: 240.174  Volume: 393
  Hydrophobic surface: 625.102  Hydrophilic surface: 51.06
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.