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MMsINC code: MMs02819834

Type: Neutral
Formula: C₂₄H₂₂O₄

SMILES:

O(CC)c1ccc(cc1OC)\C=C\C(Oc1ccccc1-c1ccccc1)=O

InChI:

InChI=1/C24H22O4/c1-3-27-22-15-13-18(17-23(22)26-2)14-16-24(25)28-21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-17H,3H2,1-2H3/b16-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.8 kcal/mol

Physical Properties
Molecular Weight: 374.436 g/mol	logS: -6.85911	SlogP: 5.3797	Reactive groups: 0

Topological Properties
Globularity: 0.116819	Sterimol/B1: 3.01051	Sterimol/B2: 4.03996	Sterimol/B3: 6.2612
Sterimol/B4: 6.37413	Sterimol/L: 18.9863

Surface and Volume Properties
Accessible surface: 690.981	Positive charged surface: 431.879	Negative charged surface: 257.169	Volume: 376.625
Hydrophobic surface: 624.904	Hydrophilic surface: 66.077

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.