MMsINC Database Search


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MMsINC code: MMs01412881

Type: Neutral
Formula: C₁₉H₁₄O₃

SMILES:

O(C(=O)c1cc2c(cc1)cccc2)CC(=O)c1ccccc1

InChI:

InChI=1/C19H14O3/c20-18(15-7-2-1-3-8-15)13-22-19(21)17-11-10-14-6-4-5-9-16(14)12-17/h1-12H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.5184 kcal/mol

Physical Properties
Molecular Weight: 290.318 g/mol	logS: -5.74374	SlogP: 3.8795	Reactive groups: 0

Topological Properties
Globularity: 0.00186488	Sterimol/B1: 2.3743	Sterimol/B2: 2.37579	Sterimol/B3: 3.74903
Sterimol/B4: 4.50615	Sterimol/L: 18.9043

Surface and Volume Properties
Accessible surface: 549.084	Positive charged surface: 276.444	Negative charged surface: 261.569	Volume: 283.125
Hydrophobic surface: 474.381	Hydrophilic surface: 74.703

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.