MMsINC Database Search


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MMsINC code: MMs01659329

Type: Neutral
Formula: C₂₄H₁₈O₅

SMILES:

O1c2c(c3c(cc2)cccc3)C(=CC1=O)COC(=O)\C=C\c1cc(OC)ccc1

InChI:

InChI=1/C24H18O5/c1-27-19-7-4-5-16(13-19)9-12-22(25)28-15-18-14-23(26)29-21-11-10-17-6-2-3-8-20(17)24(18)21/h2-14H,15H2,1H3/b12-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.93 kcal/mol

Physical Properties
Molecular Weight: 386.403 g/mol	logS: -7.39074	SlogP: 4.4074	Reactive groups: 0

Topological Properties
Globularity: 0.00810734	Sterimol/B1: 2.52317	Sterimol/B2: 3.00465	Sterimol/B3: 4.46194
Sterimol/B4: 7.22327	Sterimol/L: 20.7169

Surface and Volume Properties
Accessible surface: 658.94	Positive charged surface: 361.026	Negative charged surface: 289.542	Volume: 363.125
Hydrophobic surface: 541.009	Hydrophilic surface: 117.931

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.