MMsINC Database Search


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MMsINC code: MMs02579407

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

O1c2c(cccc2)C(=O)C(OCC(=O)c2ccccc2)=C1c1ccc(cc1)C

InChI:

InChI=1/C24H18O4/c1-16-11-13-18(14-12-16)23-24(22(26)19-9-5-6-10-21(19)28-23)27-15-20(25)17-7-3-2-4-8-17/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.475 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -7.20807	SlogP: 4.83842	Reactive groups: 1

Topological Properties
Globularity: 0.099798	Sterimol/B1: 2.39663	Sterimol/B2: 4.01628	Sterimol/B3: 4.04436
Sterimol/B4: 10.099	Sterimol/L: 16.8683

Surface and Volume Properties
Accessible surface: 642.755	Positive charged surface: 352.985	Negative charged surface: 289.771	Volume: 356.625
Hydrophobic surface: 578.295	Hydrophilic surface: 64.46

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.