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MMsINC code: MMs01011382

Type: Neutral
Formula: C₂₀H₁₄FN₃O₂

SMILES:

Fc1ccc(cc1)-c1[nH]nc2nc(cc(c12)C(O)=O)-c1cc(ccc1)C

InChI:

InChI=1/C20H14FN3O2/c1-11-3-2-4-13(9-11)16-10-15(20(25)26)17-18(23-24-19(17)22-16)12-5-7-14(21)8-6-12/h2-10H,1H3,(H,25,26)(H,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.694 kcal/mol

Physical Properties
Molecular Weight: 347.349 g/mol	logS: -7.17518	SlogP: 4.43762	Reactive groups: 0

Topological Properties
Globularity: 0.0205151	Sterimol/B1: 2.98359	Sterimol/B2: 3.03034	Sterimol/B3: 3.30666
Sterimol/B4: 6.42516	Sterimol/L: 17.6486

Surface and Volume Properties
Accessible surface: 570.557	Positive charged surface: 297.996	Negative charged surface: 261.528	Volume: 314.25
Hydrophobic surface: 410.629	Hydrophilic surface: 159.928

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs01011383
CHEMDIV-ZINC06748968