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ENAMINE-ZINC03610520

 MMsINC code: MMs01523866
Type: Neutral
Formula: C21H23N3O3
SMILES:   O=C1N(CC(=O)NCCc2ccccc2)C(=O)NC1(C)c1ccc(cc1)C
InChI:   InChI=1/C21H23N3O3/c1-15-8-10-17(11-9-15)21(2)19(26)24(20(27)23-21)14-18(25)22-13-12-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,22,25)(H,23,27)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.5338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.433 g/mol  logS: -4.60546  SlogP: 2.43239  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0479975  Sterimol/B1: 2.85622  Sterimol/B2: 3.58654  Sterimol/B3: 4.5377
  Sterimol/B4: 5.36713  Sterimol/L: 21.1242 
 
 Surface and Volume Properties
  Accessible surface: 660.882  Positive charged surface: 392.385  Negative charged surface: 268.497  Volume: 355
  Hydrophobic surface: 513.355  Hydrophilic surface: 147.527
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.