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CHEMDIV-ZINC02601587

 MMsINC code: MMs00883397
Type: Neutral
Formula: C19H34N2O4
SMILES:   O(C(=O)C(NC(=O)C(NC(=O)C1CCC(CC1)C)C(C)C)C(C)C)C
InChI:   InChI=1/C19H34N2O4/c1-11(2)15(18(23)21-16(12(3)4)19(24)25-6)20-17(22)14-9-7-13(5)8-10-14/h11-16H,7-10H2,1-6H3,(H,20,22)(H,21,23)/t13-,14+,15-,16+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.1955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.491 g/mol  logS: -4.17509  SlogP: 2.2673  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829967  Sterimol/B1: 3.10565  Sterimol/B2: 3.83573  Sterimol/B3: 5.1631
  Sterimol/B4: 5.56993  Sterimol/L: 17.8131 
 
 Surface and Volume Properties
  Accessible surface: 615.821  Positive charged surface: 463.45  Negative charged surface: 152.371  Volume: 366.125
  Hydrophobic surface: 457.021  Hydrophilic surface: 158.8
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.