MMsINC Database Search


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MMsINC code: MMs02571481

Type: Neutral
Formula: C₂₄H₂₀O₃

SMILES:

O1c2c(cc(cc2)C)C(=O)C(OCc2ccccc2C)=C1c1ccccc1

InChI:

InChI=1/C24H20O3/c1-16-12-13-21-20(14-16)22(25)24(23(27-21)18-9-4-3-5-10-18)26-15-19-11-7-6-8-17(19)2/h3-14H,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.127 kcal/mol

Physical Properties
Molecular Weight: 356.421 g/mol	logS: -7.35064	SlogP: 5.73054	Reactive groups: 1

Topological Properties
Globularity: 0.106626	Sterimol/B1: 2.68261	Sterimol/B2: 4.14559	Sterimol/B3: 4.53925
Sterimol/B4: 8.20905	Sterimol/L: 16.6693

Surface and Volume Properties
Accessible surface: 630.759	Positive charged surface: 362.876	Negative charged surface: 267.884	Volume: 356.375
Hydrophobic surface: 594.922	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.