MMsINC Database Search


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MMsINC code: MMs00611991

Type: Neutral
Formula: C₁₇H₁₃FO₄

SMILES:

Fc1ccccc1OC=1C(=O)c2c(OC=1C)c(C)c(O)cc2

InChI:

InChI=1/C17H13FO4/c1-9-13(19)8-7-11-15(20)17(10(2)21-16(9)11)22-14-6-4-3-5-12(14)18/h3-8,19H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.6709 kcal/mol

Physical Properties
Molecular Weight: 300.285 g/mol	logS: -4.70019	SlogP: 3.72532	Reactive groups: 1

Topological Properties
Globularity: 0.0972311	Sterimol/B1: 2.97365	Sterimol/B2: 3.52555	Sterimol/B3: 4.42572
Sterimol/B4: 6.26173	Sterimol/L: 15.1011

Surface and Volume Properties
Accessible surface: 510.816	Positive charged surface: 278.725	Negative charged surface: 232.092	Volume: 267.25
Hydrophobic surface: 434.512	Hydrophilic surface: 76.304

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.