MMsINC Database Search


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MMsINC code: MMs02277301

Type: Neutral
Formula: C₁₉H₁₃FO₃

SMILES:

Fc1cccc(C(=O)c2cc3c(cc2)cccc3)c1C(OC)=O

InChI:

InChI=1/C19H13FO3/c1-23-19(22)17-15(7-4-8-16(17)20)18(21)14-10-9-12-5-2-3-6-13(12)11-14/h2-11H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.9168 kcal/mol

Physical Properties
Molecular Weight: 308.308 g/mol	logS: -6.01228	SlogP: 3.9965	Reactive groups: 0

Topological Properties
Globularity: 0.226643	Sterimol/B1: 2.33616	Sterimol/B2: 2.86398	Sterimol/B3: 5.4701
Sterimol/B4: 8.50664	Sterimol/L: 13.4833

Surface and Volume Properties
Accessible surface: 521.423	Positive charged surface: 282.618	Negative charged surface: 231.009	Volume: 286
Hydrophobic surface: 468.655	Hydrophilic surface: 52.768

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.