MMsINC Database Search


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MMsINC code: MMs02489666

Type: Neutral
Formula: C₁₉H₁₄O₃

SMILES:

Oc1ccc2c(cccc2)c1\C=C/C(=O)c1cc(O)ccc1

InChI:

InChI=1/C19H14O3/c20-15-6-3-5-14(12-15)18(21)11-9-17-16-7-2-1-4-13(16)8-10-19(17)22/h1-12,20,22H/b11-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.56 kcal/mol

Physical Properties
Molecular Weight: 290.318 g/mol	logS: -5.11749	SlogP: 4.1471	Reactive groups: 1

Topological Properties
Globularity: 0.158078	Sterimol/B1: 2.54071	Sterimol/B2: 2.89964	Sterimol/B3: 4.95955
Sterimol/B4: 7.87914	Sterimol/L: 13.5193

Surface and Volume Properties
Accessible surface: 521.525	Positive charged surface: 292.791	Negative charged surface: 221.657	Volume: 279.375
Hydrophobic surface: 412.212	Hydrophilic surface: 109.313

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.