MMsINC Database Search


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MMsINC code: MMs02758091

Type: Neutral
Formula: C₁₉H₁₆O₃

SMILES:

O1c2c(cc(cc2)C)C(=CC1=O)\C=C\c1ccccc1OC

InChI:

InChI=1/C19H16O3/c1-13-7-10-18-16(11-13)15(12-19(20)22-18)9-8-14-5-3-4-6-17(14)21-2/h3-12H,1-2H3/b9-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.53 kcal/mol

Physical Properties
Molecular Weight: 292.334 g/mol	logS: -5.89206	SlogP: 4.01942	Reactive groups: 0

Topological Properties
Globularity: 0.00614296	Sterimol/B1: 2.29659	Sterimol/B2: 2.51145	Sterimol/B3: 2.7331
Sterimol/B4: 8.8379	Sterimol/L: 15.0615

Surface and Volume Properties
Accessible surface: 545.665	Positive charged surface: 311.29	Negative charged surface: 234.375	Volume: 288.125
Hydrophobic surface: 473.306	Hydrophilic surface: 72.359

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.