MMsINC Database Search


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MMsINC code: MMs01072286

Type: Neutral
Formula: C₁₄H₁₁FN₂O₂

SMILES:

Fc1ccccc1\C=N\NC(=O)c1ccccc1O

InChI:

InChI=1/C14H11FN2O2/c15-12-7-3-1-5-10(12)9-16-17-14(19)11-6-2-4-8-13(11)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)=87.2884 kcal/mol

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

Topological Properties
Globularity: 0.00119907	Sterimol/B1: 2.10539	Sterimol/B2: 2.23041	Sterimol/B3: 3.22717
Sterimol/B4: 5.11844	Sterimol/L: 16.4314

Surface and Volume Properties
Accessible surface: 484.614	Positive charged surface: 267.562	Negative charged surface: 217.052	Volume: 235.25
Hydrophobic surface: 374.487	Hydrophilic surface: 110.127

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.