MMsINC Database Search


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MMsINC code: MMs03172358

Type: Ionized
Formula: C₁₄H₁₀FN₂O₃-

SMILES:

Fc1cc(NC(=O)Nc2ccccc2C(=O)[O-])ccc1

InChI:

InChI=1/C14H11FN2O3/c15-9-4-3-5-10(8-9)16-14(20)17-12-7-2-1-6-11(12)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)=15.0695 kcal/mol

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

Topological Properties
Globularity: 2.25637e-08	Sterimol/B1: 2.09758	Sterimol/B2: 2.09794	Sterimol/B3: 3.51259
Sterimol/B4: 5.87613	Sterimol/L: 15.5373

Surface and Volume Properties
Accessible surface: 472.959	Positive charged surface: 220.223	Negative charged surface: 252.736	Volume: 241.75
Hydrophobic surface: 350.524	Hydrophilic surface: 122.435

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:

MMs03172357
PUBCHEM-ZINC04795693