MMsINC Database Search


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MMsINC code: MMs00122021

Type: Neutral
Formula: C₁₃H₁₀FNO

SMILES:

Fc1cc(NC(=O)c2ccccc2)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.7388 kcal/mol

Physical Properties
Molecular Weight: 215.227 g/mol	logS: -3.64985	SlogP: 3.078	Reactive groups: 0

Topological Properties
Globularity: 0.0179338	Sterimol/B1: 2.44525	Sterimol/B2: 2.59429	Sterimol/B3: 3.5046
Sterimol/B4: 4.11446	Sterimol/L: 14.243

Surface and Volume Properties
Accessible surface: 422.709	Positive charged surface: 210.709	Negative charged surface: 212	Volume: 203.125
Hydrophobic surface: 384.907	Hydrophilic surface: 37.802

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