MMsINC Database Search


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MMsINC code: MMs01863219

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

O1c2c(cccc2)C(OC(=O)c2cc(ccc2)C)=C(Cc2ccccc2)C1=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.699 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -7.23397	SlogP: 4.72479	Reactive groups: 0

Topological Properties
Globularity: 0.113848	Sterimol/B1: 3.13501	Sterimol/B2: 4.43037	Sterimol/B3: 4.99768
Sterimol/B4: 7.9451	Sterimol/L: 15.8998

Surface and Volume Properties
Accessible surface: 625.206	Positive charged surface: 332	Negative charged surface: 293.205	Volume: 357.375
Hydrophobic surface: 556.732	Hydrophilic surface: 68.474

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.