MMsINC Database Search


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MMsINC code: MMs00996648

Type: Neutral
Formula: C₂₆H₃₀O₃

SMILES:

O1c2c(ccc(OCc3ccc(cc3)C=C)c2C)C(C)=C(CCCCCC)C1=O

InChI:

InChI=1/C26H30O3/c1-5-7-8-9-10-23-18(3)22-15-16-24(19(4)25(22)29-26(23)27)28-17-21-13-11-20(6-2)12-14-21/h6,11-16H,2,5,7-10,17H2,1,3-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.15 kcal/mol

Physical Properties
Molecular Weight: 390.523 g/mol	logS: -8.76989	SlogP: 7.14632	Reactive groups: 0

Topological Properties
Globularity: 0.0399525	Sterimol/B1: 2.39538	Sterimol/B2: 3.54325	Sterimol/B3: 5.34273
Sterimol/B4: 5.62504	Sterimol/L: 25.1512

Surface and Volume Properties
Accessible surface: 745.81	Positive charged surface: 471.591	Negative charged surface: 274.219	Volume: 411.75
Hydrophobic surface: 631.964	Hydrophilic surface: 113.846

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: no related molecules available.