MMsINC Database Search


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MMsINC code: MMs00389688

Type: Neutral
Formula: C₁₉H₁₄O₃

SMILES:

o1cccc1\C=C\C(=O)c1ccc(Oc2ccccc2)cc1

InChI:

InChI=1/C19H14O3/c20-19(13-12-16-7-4-14-21-16)15-8-10-18(11-9-15)22-17-5-2-1-3-6-17/h1-14H/b13-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0777 kcal/mol

Physical Properties
Molecular Weight: 290.318 g/mol	logS: -5.49779	SlogP: 4.968	Reactive groups: 1

Topological Properties
Globularity: 0.0470004	Sterimol/B1: 2.83035	Sterimol/B2: 3.16771	Sterimol/B3: 4.60613
Sterimol/B4: 5.95228	Sterimol/L: 18.5471

Surface and Volume Properties
Accessible surface: 556.443	Positive charged surface: 274.672	Negative charged surface: 281.771	Volume: 284.625
Hydrophobic surface: 513.613	Hydrophilic surface: 42.83

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.