MMsINC Database Search


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MMsINC code: MMs02358801

Type: Neutral
Formula: C₁₄H₁₁FN₂O₃

SMILES:

Fc1cc(NC(=O)Nc2ccc(cc2)C(O)=O)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.0107 kcal/mol

Physical Properties
Molecular Weight: 274.251 g/mol	logS: -3.51643	SlogP: 3.1679	Reactive groups: 0

Topological Properties
Globularity: 0.0287991	Sterimol/B1: 2.21767	Sterimol/B2: 3.45396	Sterimol/B3: 4.05902
Sterimol/B4: 4.29302	Sterimol/L: 15.9461

Surface and Volume Properties
Accessible surface: 486.002	Positive charged surface: 262.411	Negative charged surface: 223.591	Volume: 239.25
Hydrophobic surface: 332.519	Hydrophilic surface: 153.483

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules

MMs02358802
NCID-ZINC01738388