MMsINC Database Search


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MMsINC code: MMs00594590

Type: Neutral
Formula: C₁₉H₁₄O₃

SMILES:

O(C(=O)c1ccccc1C(=O)c1c2c(ccc1)cccc2)C

InChI:

InChI=1/C19H14O3/c1-22-19(21)17-11-5-4-10-16(17)18(20)15-12-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.102 kcal/mol

Physical Properties
Molecular Weight: 290.318 g/mol	logS: -5.7173	SlogP: 3.8574	Reactive groups: 0

Topological Properties
Globularity: 0.190836	Sterimol/B1: 2.26517	Sterimol/B2: 3.27592	Sterimol/B3: 5.61121
Sterimol/B4: 8.72303	Sterimol/L: 14.228

Surface and Volume Properties
Accessible surface: 515.081	Positive charged surface: 299.113	Negative charged surface: 206.545	Volume: 281.125
Hydrophobic surface: 474.733	Hydrophilic surface: 40.348

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.