MMsINC Database Search


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MMsINC code: MMs02248293

Type: Neutral
Formula: C₂₄H₁₈O₂

SMILES:

O=C1c2c(cccc2)C(=O)C(C)=C1C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H18O2/c1-16-21(24(26)20-15-9-8-14-19(20)23(16)25)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,22H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.836 kcal/mol

Physical Properties
Molecular Weight: 338.406 g/mol	logS: -6.14773	SlogP: 5.2142	Reactive groups: 1

Topological Properties
Globularity: 0.34715	Sterimol/B1: 2.14327	Sterimol/B2: 4.39415	Sterimol/B3: 7.6165
Sterimol/B4: 7.69263	Sterimol/L: 13.5937

Surface and Volume Properties
Accessible surface: 569.035	Positive charged surface: 301.601	Negative charged surface: 267.434	Volume: 336.625
Hydrophobic surface: 525.474	Hydrophilic surface: 43.561

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.