MMsINC Database Search


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MMsINC code: MMs00700340

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

O1c2c(cc(OC(=O)CCc3ccccc3)cc2)C(=O)C=C1c1ccccc1

InChI:

InChI=1/C24H18O4/c25-21-16-23(18-9-5-2-6-10-18)28-22-13-12-19(15-20(21)22)27-24(26)14-11-17-7-3-1-4-8-17/h1-10,12-13,15-16H,11,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.4822 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -6.60594	SlogP: 4.84097	Reactive groups: 1

Topological Properties
Globularity: 0.0141931	Sterimol/B1: 2.9874	Sterimol/B2: 3.17993	Sterimol/B3: 3.92643
Sterimol/B4: 5.01632	Sterimol/L: 22.5287

Surface and Volume Properties
Accessible surface: 661.169	Positive charged surface: 357.018	Negative charged surface: 304.151	Volume: 356.75
Hydrophobic surface: 583.286	Hydrophilic surface: 77.883

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.