MMsINC Database Search


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MMsINC code: MMs02335872

Type: Neutral
Formula: C₁₉H₁₂O₃

SMILES:

O1c2c(ccc3c2cccc3O)C(=O)C=C1c1ccccc1

InChI:

InChI=1/C19H12O3/c20-16-8-4-7-14-13(16)9-10-15-17(21)11-18(22-19(14)15)12-5-2-1-3-6-12/h1-11,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8667 kcal/mol

Physical Properties
Molecular Weight: 288.302 g/mol	logS: -6.06442	SlogP: 4.1616	Reactive groups: 1

Topological Properties
Globularity: 0.00160197	Sterimol/B1: 2.097	Sterimol/B2: 2.21792	Sterimol/B3: 3.9439
Sterimol/B4: 6.84404	Sterimol/L: 15.1874

Surface and Volume Properties
Accessible surface: 503.04	Positive charged surface: 247.754	Negative charged surface: 244.215	Volume: 268.875
Hydrophobic surface: 415.36	Hydrophilic surface: 87.68

Pharmacophoric Properties
Hydrogen bond donors: 1	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.