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MMsINC code: MMs00674146

Type: Neutral
Formula: C₂₅H₂₂O₄

SMILES:

O1c2c(ccc(OCc3ccccc3OC)c2)C(C)=C(Cc2ccccc2)C1=O

InChI:

InChI=1/C25H22O4/c1-17-21-13-12-20(28-16-19-10-6-7-11-23(19)27-2)15-24(21)29-25(26)22(17)14-18-8-4-3-5-9-18/h3-13,15H,14,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.112 kcal/mol

Physical Properties
Molecular Weight: 386.447 g/mol	logS: -6.80902	SlogP: 5.47577	Reactive groups: 0

Topological Properties
Globularity: 0.0461747	Sterimol/B1: 2.46715	Sterimol/B2: 2.95232	Sterimol/B3: 5.84812
Sterimol/B4: 7.03527	Sterimol/L: 19.1547

Surface and Volume Properties
Accessible surface: 666.337	Positive charged surface: 400.94	Negative charged surface: 265.398	Volume: 379
Hydrophobic surface: 609.443	Hydrophilic surface: 56.894

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.