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NCID-ZINC01575543

 MMsINC code: MMs02234350
Type: Neutral
Formula: C20H23N3O4
SMILES:   OC(=O)C(NC(=O)C(NC(=O)CN)Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C20H23N3O4/c21-13-18(24)22-16(11-14-7-3-1-4-8-14)19(25)23-17(20(26)27)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13,21H2,(H,22,24)(H,23,25)(H,26,27)/t16-,17+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.664 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.421 g/mol  logS: -3.28162  SlogP: 0.48464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202452  Sterimol/B1: 2.64739  Sterimol/B2: 3.64563  Sterimol/B3: 5.612
  Sterimol/B4: 8.31663  Sterimol/L: 13.6354 
 
 Surface and Volume Properties
  Accessible surface: 631.756  Positive charged surface: 386.422  Negative charged surface: 245.334  Volume: 352.875
  Hydrophobic surface: 427.786  Hydrophilic surface: 203.97
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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: 1
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Ions/Tautomers related molecules: no related molecules available.