MMsINC Database Search


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MMsINC code: MMs02567879

Type: Neutral
Formula: C₂₅H₂₂O₃

SMILES:

O1c2c(cc(C)c(c2)C)C(=O)C(OCc2ccccc2C)=C1c1ccccc1

InChI:

InChI=1/C25H22O3/c1-16-9-7-8-12-20(16)15-27-25-23(26)21-13-17(2)18(3)14-22(21)28-24(25)19-10-5-4-6-11-19/h4-14H,15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.211 kcal/mol

Physical Properties
Molecular Weight: 370.448 g/mol	logS: -7.82456	SlogP: 6.03896	Reactive groups: 1

Topological Properties
Globularity: 0.0892184	Sterimol/B1: 2.15155	Sterimol/B2: 2.50368	Sterimol/B3: 6.53002
Sterimol/B4: 8.36936	Sterimol/L: 17.1333

Surface and Volume Properties
Accessible surface: 652.743	Positive charged surface: 380.317	Negative charged surface: 272.427	Volume: 371.375
Hydrophobic surface: 616.906	Hydrophilic surface: 35.837

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.