MMsINC Database Search


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MMsINC code: MMs00633118

Type: Neutral
Formula: C₁₇H₁₁ClF₂O₃

SMILES:

Clc1cc2c(OC(=O)C=C2C)cc1OCc1c(F)cccc1F

InChI:

InChI=1/C17H11ClF2O3/c1-9-5-17(21)23-15-7-16(12(18)6-10(9)15)22-8-11-13(19)3-2-4-14(11)20/h2-7H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1896 kcal/mol

Physical Properties
Molecular Weight: 336.721 g/mol	logS: -6.24393	SlogP: 4.7859	Reactive groups: 0

Topological Properties
Globularity: 0.0512547	Sterimol/B1: 3.86342	Sterimol/B2: 3.86724	Sterimol/B3: 3.89456
Sterimol/B4: 6.45087	Sterimol/L: 16.4583

Surface and Volume Properties
Accessible surface: 535.225	Positive charged surface: 236.681	Negative charged surface: 298.544	Volume: 280.375
Hydrophobic surface: 464.274	Hydrophilic surface: 70.951

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.