MMsINC Database Search


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MMsINC code: MMs00601371

Type: Neutral
Formula: C₁₉H₁₂O₃

SMILES:

o1cc(c2cc(O)c3c(c12)cccc3)C(=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.8718 kcal/mol

Physical Properties
Molecular Weight: 288.302 g/mol	logS: -6.41895	SlogP: 4.5226	Reactive groups: 0

Topological Properties
Globularity: 0.0123928	Sterimol/B1: 2.59861	Sterimol/B2: 2.70149	Sterimol/B3: 3.69687
Sterimol/B4: 5.33068	Sterimol/L: 16.4493

Surface and Volume Properties
Accessible surface: 503.194	Positive charged surface: 244.011	Negative charged surface: 243.276	Volume: 273.375
Hydrophobic surface: 419.229	Hydrophilic surface: 83.965

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.