MMsINC Database Search


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MMsINC code: MMs02571326

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

O1c2c(ccc(OC(=O)c3ccccc3C)c2C)C(=CC1=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.087 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -7.29694	SlogP: 4.69063	Reactive groups: 0

Topological Properties
Globularity: 0.0885712	Sterimol/B1: 2.07191	Sterimol/B2: 4.62093	Sterimol/B3: 6.09248
Sterimol/B4: 6.25804	Sterimol/L: 17.841

Surface and Volume Properties
Accessible surface: 631.833	Positive charged surface: 349.676	Negative charged surface: 282.157	Volume: 354.5
Hydrophobic surface: 556.263	Hydrophilic surface: 75.57

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.