MMsINC Database Search


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MMsINC code: MMs02664008

Type: Neutral
Formula: C₁₉H₁₆O₃

SMILES:

O(C(=O)c1cc(C)c(cc1)C)c1cc2cc(O)ccc2cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.9055 kcal/mol

Physical Properties
Molecular Weight: 292.334 g/mol	logS: -5.96271	SlogP: 4.38144	Reactive groups: 0

Topological Properties
Globularity: 0.0531556	Sterimol/B1: 2.94032	Sterimol/B2: 3.00602	Sterimol/B3: 4.39779
Sterimol/B4: 5.0815	Sterimol/L: 17.14

Surface and Volume Properties
Accessible surface: 545.443	Positive charged surface: 305.697	Negative charged surface: 230.877	Volume: 287.5
Hydrophobic surface: 463.538	Hydrophilic surface: 81.905

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.