MMsINC Database Search


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MMsINC code: MMs00590143

Type: Neutral
Formula: C₁₉H₁₆O₃

SMILES:

O1c2cc(OCc3ccccc3)ccc2C2=C(CCC2)C1=O

InChI:

InChI=1/C19H16O3/c20-19-17-8-4-7-15(17)16-10-9-14(11-18(16)22-19)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.1604 kcal/mol

Physical Properties
Molecular Weight: 292.334 g/mol	logS: -5.34981	SlogP: 4.3885	Reactive groups: 0

Topological Properties
Globularity: 0.0397847	Sterimol/B1: 3.61165	Sterimol/B2: 3.67184	Sterimol/B3: 3.98755
Sterimol/B4: 4.62241	Sterimol/L: 17.5477

Surface and Volume Properties
Accessible surface: 543.199	Positive charged surface: 319.812	Negative charged surface: 223.387	Volume: 282.5
Hydrophobic surface: 472.135	Hydrophilic surface: 71.064

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.