MMsINC Database Search


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MMsINC code: MMs01235138

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

o1c2c(cc(OC(=O)c3ccc(cc3)-c3ccccc3)cc2)c(C(=O)C)c1C

InChI:

InChI=1/C24H18O4/c1-15(25)23-16(2)27-22-13-12-20(14-21(22)23)28-24(26)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.521 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -7.99631	SlogP: 5.83002	Reactive groups: 0

Topological Properties
Globularity: 0.0450249	Sterimol/B1: 3.34869	Sterimol/B2: 4.31479	Sterimol/B3: 5.03102
Sterimol/B4: 5.25847	Sterimol/L: 20.919

Surface and Volume Properties
Accessible surface: 660.745	Positive charged surface: 326.657	Negative charged surface: 317.177	Volume: 359.375
Hydrophobic surface: 584.085	Hydrophilic surface: 76.66

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.