MMsINC Database Search


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MMsINC code: MMs01120500

Type: Neutral
Formula: C₁₄H₁₁FN₂O₂

SMILES:

Fc1ccccc1\C=N\NC(=O)c1ccc(O)cc1

InChI:

InChI=1/C14H11FN2O2/c15-13-4-2-1-3-11(13)9-16-17-14(19)10-5-7-12(18)8-6-10/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)=78.7457 kcal/mol

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

Topological Properties
Globularity: 0.00119161	Sterimol/B1: 2.11771	Sterimol/B2: 2.21265	Sterimol/B3: 2.88875
Sterimol/B4: 4.90639	Sterimol/L: 17.0479

Surface and Volume Properties
Accessible surface: 491.301	Positive charged surface: 266.044	Negative charged surface: 225.257	Volume: 236.25
Hydrophobic surface: 366.745	Hydrophilic surface: 124.556

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.