MMsINC Database Search


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MMsINC code: MMs00603610

Type: Neutral
Formula: C₁₄H₁₁FN₂O₂

SMILES:

Fc1ccc(cc1)\C=N\NC(=O)c1ccccc1O

InChI:

InChI=1/C14H11FN2O2/c15-11-7-5-10(6-8-11)9-16-17-14(19)12-3-1-2-4-13(12)18/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)=83.779 kcal/mol

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

Topological Properties
Globularity: 0.00121901	Sterimol/B1: 2.1406	Sterimol/B2: 2.19402	Sterimol/B3: 2.53587
Sterimol/B4: 5.80865	Sterimol/L: 16.7029

Surface and Volume Properties
Accessible surface: 488.636	Positive charged surface: 258.265	Negative charged surface: 230.372	Volume: 234.125
Hydrophobic surface: 376.81	Hydrophilic surface: 111.826

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

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Ions/Tautomers related molecules: no related molecules available.