MMsINC Database Search


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MMsINC code: MMs00333887

Type: Ionized
Formula: C₁₆H₁₁FNO₂-

SMILES:

Fc1ccc(cc1)Cn1cc(c2c1cccc2)C(=O)[O-]

InChI:

InChI=1/C16H12FNO2/c17-12-7-5-11(6-8-12)9-18-10-14(16(19)20)13-3-1-2-4-15(13)18/h1-8,10H,9H2,(H,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.5154 kcal/mol

Physical Properties
Molecular Weight: 268.267 g/mol	logS: -3.86152	SlogP: 2.4586	Reactive groups: 0

Topological Properties
Globularity: 0.129925	Sterimol/B1: 2.97113	Sterimol/B2: 3.34871	Sterimol/B3: 4.34392
Sterimol/B4: 7.38434	Sterimol/L: 12.8438

Surface and Volume Properties
Accessible surface: 463.437	Positive charged surface: 212.23	Negative charged surface: 246.038	Volume: 250.125
Hydrophobic surface: 352.291	Hydrophilic surface: 111.146

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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:

MMs00333886
ASINEX-ZINC04412588