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CHEMDIV-ZINC03648886

 MMsINC code: MMs00913860
Type: Neutral
Formula: C25H29NO2
SMILES:   O(CCCn1cc(c2c1cccc2)C(=O)C1CCCCC1)c1ccc(cc1)C
InChI:   InChI=1/C25H29NO2/c1-19-12-14-21(15-13-19)28-17-7-16-26-18-23(22-10-5-6-11-24(22)26)25(27)20-8-3-2-4-9-20/h5-6,10-15,18,20H,2-4,7-9,16-17H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.2599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.512 g/mol  logS: -6.24863  SlogP: 6.44822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0484756  Sterimol/B1: 3.55187  Sterimol/B2: 3.95561  Sterimol/B3: 4.30012
  Sterimol/B4: 9.02413  Sterimol/L: 19.7979 
 
 Surface and Volume Properties
  Accessible surface: 706.23  Positive charged surface: 458.999  Negative charged surface: 242.123  Volume: 395.375
  Hydrophobic surface: 670.807  Hydrophilic surface: 35.423
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00913861
CHEMDIV-ZINC03648886