MMsINC Database Search


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MMsINC code: MMs03408379

Type: Neutral
Formula: C₂₆H₂₄O₂

SMILES:

O(CCC)c1c2c3c4c(ccc3c3c1cccc3)c(OCCC)ccc4cc2

InChI:

InChI=1/C26H24O2/c1-3-15-27-23-14-10-17-9-11-22-25-19(12-13-21(23)24(17)25)18-7-5-6-8-20(18)26(22)28-16-4-2/h5-14H,3-4,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.556 kcal/mol

Physical Properties
Molecular Weight: 368.476 g/mol	logS: -9.50662	SlogP: 7.3148	Reactive groups: 0

Topological Properties
Globularity: 0.0210188	Sterimol/B1: 2.89704	Sterimol/B2: 3.25598	Sterimol/B3: 4.84875
Sterimol/B4: 7.12324	Sterimol/L: 19.4314

Surface and Volume Properties
Accessible surface: 650.834	Positive charged surface: 389.085	Negative charged surface: 219.34	Volume: 378.625
Hydrophobic surface: 597.705	Hydrophilic surface: 53.129

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: 0

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Ions/Tautomers related molecules: no related molecules available.