MMsINC Database Search


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MMsINC code: MMs03306556

Type: Neutral
Formula: C₁₇H₉F₄NO₄

SMILES:

Fc1c(C(=O)CC2=Nc3c(OC2=O)cccc3)c(F)c(F)c(OC)c1F

InChI:

InChI=1/C17H9F4NO4/c1-25-16-14(20)12(18)11(13(19)15(16)21)9(23)6-8-17(24)26-10-5-3-2-4-7(10)22-8/h2-5H,6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.679 kcal/mol

Physical Properties
Molecular Weight: 367.254 g/mol	logS: -5.95873	SlogP: 3.5161	Reactive groups: 0

Topological Properties
Globularity: 0.0132381	Sterimol/B1: 2.07116	Sterimol/B2: 3.29038	Sterimol/B3: 3.96148
Sterimol/B4: 5.28393	Sterimol/L: 18.186

Surface and Volume Properties
Accessible surface: 546.016	Positive charged surface: 295.88	Negative charged surface: 250.136	Volume: 283.25
Hydrophobic surface: 441.003	Hydrophilic surface: 105.013

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.