MMsINC Database Search


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MMsINC code: MMs02878144

Type: Neutral
Formula: C₁₃H₁₀FNO

SMILES:

Fc1ccccc1\N=C\c1ccccc1O

InChI:

InChI=1/C13H10FNO/c14-11-6-2-3-7-12(11)15-9-10-5-1-4-8-13(10)16/h1-9,16H/b15-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6692 kcal/mol

Physical Properties
Molecular Weight: 215.227 g/mol	logS: -3.24265	SlogP: 3.2819	Reactive groups: 0

Topological Properties
Globularity: 0.0213396	Sterimol/B1: 2.16697	Sterimol/B2: 2.65857	Sterimol/B3: 2.97714
Sterimol/B4: 5.02433	Sterimol/L: 14.2029

Surface and Volume Properties
Accessible surface: 426.332	Positive charged surface: 234.741	Negative charged surface: 191.591	Volume: 205.875
Hydrophobic surface: 376.78	Hydrophilic surface: 49.552

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.