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NCID-ZINC01668552

 MMsINC code: MMs02304639
Type: Neutral
Formula: C19H30N2O3
SMILES:   O(C(=O)c1ccc(NC(=O)CCCNCC(C)C)cc1)CC(C)C
InChI:   InChI=1/C19H30N2O3/c1-14(2)12-20-11-5-6-18(22)21-17-9-7-16(8-10-17)19(23)24-13-15(3)4/h7-10,14-15,20H,5-6,11-13H2,1-4H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.4337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.46 g/mol  logS: -3.28083  SlogP: 3.4637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0215556  Sterimol/B1: 2.97627  Sterimol/B2: 3.24705  Sterimol/B3: 3.93312
  Sterimol/B4: 6.82904  Sterimol/L: 22.5156 
 
 Surface and Volume Properties
  Accessible surface: 694.266  Positive charged surface: 502.436  Negative charged surface: 191.831  Volume: 357
  Hydrophobic surface: 515.903  Hydrophilic surface: 178.363
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02304640
NCID-ZINC01668552