MMsINC Database Search


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MMsINC code: MMs02771638

Type: Neutral
Formula: C₂₆H₂₀O₂

SMILES:

OC1(c2c(-c3c(cccc3)C1(O)c1ccccc1)cccc2)c1ccccc1

InChI:

InChI=1/C26H20O2/c27-25(19-11-3-1-4-12-19)23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25,28)20-13-5-2-6-14-20/h1-18,27-28H/t25-,26-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=175.051 kcal/mol

Physical Properties
Molecular Weight: 364.444 g/mol	logS: -7.03794	SlogP: 5.462	Reactive groups: 0

Topological Properties
Globularity: 0.585798	Sterimol/B1: 3.67821	Sterimol/B2: 6.00173	Sterimol/B3: 6.09668
Sterimol/B4: 6.38273	Sterimol/L: 14.2351

Surface and Volume Properties
Accessible surface: 574.565	Positive charged surface: 316.5	Negative charged surface: 258.065	Volume: 358.75
Hydrophobic surface: 538.707	Hydrophilic surface: 35.858

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.