MMsINC Database Search


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MMsINC code: MMs02575657

Type: Neutral
Formula: C₂₄H₂₀O₃

SMILES:

O1c2c(cccc2)C(=O)C(OCc2cc(ccc2)C)=C1c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.005 kcal/mol

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

Topological Properties
Globularity: 0.040826	Sterimol/B1: 2.36211	Sterimol/B2: 3.222	Sterimol/B3: 3.22353
Sterimol/B4: 10.613	Sterimol/L: 16.4533

Surface and Volume Properties
Accessible surface: 614.673	Positive charged surface: 353.316	Negative charged surface: 261.357	Volume: 357.25
Hydrophobic surface: 575.031	Hydrophilic surface: 39.642

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.