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PUBCHEM-ZINC03870890

 MMsINC code: MMs03080013
Type: Neutral
Formula: C19H37N5O5
SMILES:   O=C(NC(C(C)(C)C)C(=O)NC(C(=O)NCCN)C)C(CC(C)C)CC(=O)NO
InChI:   InChI=1/C19H37N5O5/c1-11(2)9-13(10-14(25)24-29)17(27)23-15(19(4,5)6)18(28)22-12(3)16(26)21-8-7-20/h11-13,15,29H,7-10,20H2,1-6H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)/t12-,13-,15+/m0/s1

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Potential Energy
Epot(MMFF94)=110.181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.535 g/mol  logS: -2.65256  SlogP: -0.3453  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119238  Sterimol/B1: 2.1158  Sterimol/B2: 3.72079  Sterimol/B3: 7.88522
  Sterimol/B4: 8.31277  Sterimol/L: 19.8723 
 
 Surface and Volume Properties
  Accessible surface: 741.771  Positive charged surface: 520.656  Negative charged surface: 221.116  Volume: 412.375
  Hydrophobic surface: 375.957  Hydrophilic surface: 365.814
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03080014
PUBCHEM-ZINC03870890