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NCID-ZINC05618679

 MMsINC code: MMs02481025
Type: Neutral
Formula: C15H22N2O3
SMILES:   OC(=O)C(NC(=O)C(N)C(CC)C)Cc1ccccc1
InChI:   InChI=1/C15H22N2O3/c1-3-10(2)13(16)14(18)17-12(15(19)20)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H,17,18)(H,19,20)/t10-,12+,13+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.4136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.352 g/mol  logS: -2.52565  SlogP: 1.17187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122858  Sterimol/B1: 2.44762  Sterimol/B2: 4.02944  Sterimol/B3: 5.15482
  Sterimol/B4: 6.9375  Sterimol/L: 14.3426 
 
 Surface and Volume Properties
  Accessible surface: 520.353  Positive charged surface: 335.002  Negative charged surface: 185.351  Volume: 282.5
  Hydrophobic surface: 335.184  Hydrophilic surface: 185.169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.