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MMsINC code: MMs02891493

Type: Neutral
Formula: C₂₆H₂₈O₂

SMILES:

OC(=O)CCCCCCCCCc1c2c3c4c(cc2)cccc4ccc3cc1

InChI:

InChI=1/C26H28O2/c27-24(28)12-7-5-3-1-2-4-6-9-19-13-14-22-16-15-20-10-8-11-21-17-18-23(19)26(22)25(20)21/h8,10-11,13-18H,1-7,9,12H2,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.569 kcal/mol

Physical Properties
Molecular Weight: 372.508 g/mol	logS: -9.98935	SlogP: 7.33187	Reactive groups: 0

Topological Properties
Globularity: 0.0331735	Sterimol/B1: 2.61412	Sterimol/B2: 3.59151	Sterimol/B3: 3.98914
Sterimol/B4: 8.10217	Sterimol/L: 22.7233

Surface and Volume Properties
Accessible surface: 710.601	Positive charged surface: 439.745	Negative charged surface: 238.455	Volume: 390.875
Hydrophobic surface: 611.736	Hydrophilic surface: 98.865

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02891494
PUBCHEM-ZINC02516257