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NCID-ZINC04556668

 MMsINC code: MMs02391199
Type: Neutral
Formula: C18H35N3O4
SMILES:   OC(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)CC(C)C)CC(C)C
InChI:   InChI=1/C18H35N3O4/c1-10(2)7-13(19)16(22)20-14(8-11(3)4)17(23)21-15(18(24)25)9-12(5)6/h10-15H,7-9,19H2,1-6H3,(H,20,22)(H,21,23)(H,24,25)/t13-,14-,15+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.2892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.495 g/mol  logS: -4.30114  SlogP: 1.5062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0825284  Sterimol/B1: 2.00569  Sterimol/B2: 5.67884  Sterimol/B3: 6.04464
  Sterimol/B4: 6.17757  Sterimol/L: 17.2162 
 
 Surface and Volume Properties
  Accessible surface: 652.959  Positive charged surface: 447.651  Negative charged surface: 205.308  Volume: 369.5
  Hydrophobic surface: 361.559  Hydrophilic surface: 291.4
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.