MMsINC Database Search


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MMsINC code: MMs02191845

Type: Tautomer
Formula: C₁₄H₁₁FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)N\N=C/c1cc(O)ccc1

InChI:

InChI=1/C14H11FN2O2/c15-12-6-4-11(5-7-12)14(19)17-16-9-10-2-1-3-13(18)8-10/h1-9,18H,(H,17,19)/b16-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.625 kcal/mol

Physical Properties
Molecular Weight: 258.252 g/mol	logS: -3.47118	SlogP: 2.2952	Reactive groups: 0

Topological Properties
Globularity: 0.0375532	Sterimol/B1: 2.097	Sterimol/B2: 2.86565	Sterimol/B3: 3.74724
Sterimol/B4: 5.82744	Sterimol/L: 14.589

Surface and Volume Properties
Accessible surface: 468.975	Positive charged surface: 244.052	Negative charged surface: 224.923	Volume: 234.75
Hydrophobic surface: 334.272	Hydrophilic surface: 134.703

Pharmacophoric Properties
Hydrogen bond donors: 2	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:

Parent related molecule:

MMs02191844
NANOSIN-ZINC00255037