MMsINC Database Search


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MMsINC code: MMs03191763

Type: Ionized
Formula: C₁₄H₁₀FN₂O₃-

SMILES:

Fc1ccc(NC(=O)Nc2ccc(cc2)C(=O)[O-])cc1

InChI:

InChI=1/C14H11FN2O3/c15-10-3-7-12(8-4-10)17-14(20)16-11-5-1-9(2-6-11)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)=32.6264 kcal/mol

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

Topological Properties
Globularity: 1.05646e-08	Sterimol/B1: 2.09727	Sterimol/B2: 2.09784	Sterimol/B3: 2.76625
Sterimol/B4: 5.16807	Sterimol/L: 17.3445

Surface and Volume Properties
Accessible surface: 481.395	Positive charged surface: 224.053	Negative charged surface: 257.342	Volume: 241.875
Hydrophobic surface: 333.689	Hydrophilic surface: 147.706

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:

MMs03191762
PUBCHEM-ZINC05041584