MMsINC Database Search


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MMsINC code: MMs02222749

Type: Neutral
Formula: C₂₄H₂₄O₄

SMILES:

O(C)c1ccc(cc1)C(=C(CO)c1ccc(OC)cc1)c1ccc(OC)cc1

InChI:

InChI=1/C24H24O4/c1-26-20-10-4-17(5-11-20)23(16-25)24(18-6-12-21(27-2)13-7-18)19-8-14-22(28-3)15-9-19/h4-15,25H,16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.258 kcal/mol

Physical Properties
Molecular Weight: 376.452 g/mol	logS: -5.36784	SlogP: 4.48109	Reactive groups: 0

Topological Properties
Globularity: 0.117094	Sterimol/B1: 2.8012	Sterimol/B2: 3.41065	Sterimol/B3: 5.18475
Sterimol/B4: 9.0724	Sterimol/L: 17.9656

Surface and Volume Properties
Accessible surface: 661.481	Positive charged surface: 501.414	Negative charged surface: 160.066	Volume: 381
Hydrophobic surface: 576.714	Hydrophilic surface: 84.767

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.