MMsINC Database Search


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MMsINC code: MMs02406919

Type: Ionized
Formula: C₁₄H₁₀FN₂O₃-

SMILES:

Fc1ccccc1NC(=O)Nc1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C14H11FN2O3/c15-11-3-1-2-4-12(11)17-14(20)16-10-7-5-9(6-8-10)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.2498 kcal/mol

Physical Properties
Molecular Weight: 273.243 g/mol	logS: -3.77688	SlogP: 1.8332	Reactive groups: 0

Topological Properties
Globularity: 4.48203e-06	Sterimol/B1: 2.09863	Sterimol/B2: 2.11273	Sterimol/B3: 2.53387
Sterimol/B4: 5.46201	Sterimol/L: 17.1137

Surface and Volume Properties
Accessible surface: 479.617	Positive charged surface: 224.296	Negative charged surface: 255.321	Volume: 241.375
Hydrophobic surface: 334.891	Hydrophilic surface: 144.726

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

search links for this molecule:

Parent related molecule:

MMs02406918
NCID-ZINC04795741