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MMsINC code: MMs01905663

Type: Ionized
Formula: C₁₆H₁₀FN₂O₃-

SMILES:

Fc1ccc(cc1)C(=O)Nc1c2c([nH]c1C(=O)[O-])cccc2

InChI:

InChI=1/C16H11FN2O3/c17-10-7-5-9(6-8-10)15(20)19-13-11-3-1-2-4-12(11)18-14(13)16(21)22/h1-8,18H,(H,19,20)(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.5761 kcal/mol

Physical Properties
Molecular Weight: 297.265 g/mol	logS: -4.32252	SlogP: 1.9228	Reactive groups: 0

Topological Properties
Globularity: 0.0118388	Sterimol/B1: 2.40504	Sterimol/B2: 2.55986	Sterimol/B3: 2.75816
Sterimol/B4: 8.2165	Sterimol/L: 15.3995

Surface and Volume Properties
Accessible surface: 489.741	Positive charged surface: 230.25	Negative charged surface: 254.297	Volume: 258.625
Hydrophobic surface: 357.812	Hydrophilic surface: 131.929

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 2	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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Parent related molecule:

MMs01905662
IBS-ZINC04897759