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MMsINC code: MMs01701430

Type: Neutral
Formula: C₁₈H₁₄F₂N₂O₄

SMILES:

Fc1cc(F)ccc1N1C(=O)C(Nc2cc(ccc2C)C(O)=O)CC1=O

InChI:

InChI=1/C18H14F2N2O4/c1-9-2-3-10(18(25)26)6-13(9)21-14-8-16(23)22(17(14)24)15-5-4-11(19)7-12(15)20/h2-7,14,21H,8H2,1H3,(H,25,26)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.2863 kcal/mol

Physical Properties
Molecular Weight: 360.316 g/mol	logS: -4.20968	SlogP: 2.71542	Reactive groups: 0

Topological Properties
Globularity: 0.136318	Sterimol/B1: 2.0687	Sterimol/B2: 3.33529	Sterimol/B3: 5.61174
Sterimol/B4: 8.44854	Sterimol/L: 15.0871

Surface and Volume Properties
Accessible surface: 573.065	Positive charged surface: 286.292	Negative charged surface: 286.773	Volume: 304.25
Hydrophobic surface: 407.497	Hydrophilic surface: 165.568

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01701431
ENAMINE-ZINC06831746