MMsINC Database Search


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MMsINC code: MMs03938888

Type: Tautomer
Formula: C₂₃H₁₈O₅

SMILES:

O(C(=O)c1ccccc1)c1cc(OC)ccc1C(=O)CC(=O)c1ccccc1

InChI:

InChI=1/C23H18O5/c1-27-18-12-13-19(21(25)15-20(24)16-8-4-2-5-9-16)22(14-18)28-23(26)17-10-6-3-7-11-17/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.315 kcal/mol

Physical Properties
Molecular Weight: 374.392 g/mol	logS: -5.8354	SlogP: 4.3701	Reactive groups: 0

Topological Properties
Globularity: 0.0518927	Sterimol/B1: 2.20153	Sterimol/B2: 3.72816	Sterimol/B3: 3.76032
Sterimol/B4: 13.3192	Sterimol/L: 15.1519

Surface and Volume Properties
Accessible surface: 661.476	Positive charged surface: 384.854	Negative charged surface: 276.622	Volume: 355
Hydrophobic surface: 579.861	Hydrophilic surface: 81.615

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Parent related molecule:

MMs03938887
SPECS-ZINC04473151