MMsINC Database Search


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MMsINC code: MMs02758261

Type: Neutral
Formula: C₁₈H₁₀F₄N₂O₂

SMILES:

Fc1c(F)c(F)c2c(c1F)C(=O)N(CCc1c3c([nH]c1)cccc3)C2=O

InChI:

InChI=1/C18H10F4N2O2/c19-13-11-12(14(20)16(22)15(13)21)18(26)24(17(11)25)6-5-8-7-23-10-4-2-1-3-9(8)10/h1-4,7,23H,5-6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.0353 kcal/mol

Physical Properties
Molecular Weight: 362.282 g/mol	logS: -5.23392	SlogP: 3.56297	Reactive groups: 0

Topological Properties
Globularity: 0.0158657	Sterimol/B1: 2.56499	Sterimol/B2: 2.7047	Sterimol/B3: 2.81716
Sterimol/B4: 6.72992	Sterimol/L: 16.7827

Surface and Volume Properties
Accessible surface: 543.755	Positive charged surface: 255.872	Negative charged surface: 283.164	Volume: 288.375
Hydrophobic surface: 427.023	Hydrophilic surface: 116.732

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.