MMsINC Database Search


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MMsINC code: MMs00586168

Type: Neutral
Formula: C₁₃H₁₀FNO

SMILES:

Fc1ccccc1NC(=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9155 kcal/mol

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

Topological Properties
Globularity: 0.0147325	Sterimol/B1: 2.47985	Sterimol/B2: 2.55815	Sterimol/B3: 3.72952
Sterimol/B4: 3.99747	Sterimol/L: 14.2434

Surface and Volume Properties
Accessible surface: 422.081	Positive charged surface: 211.191	Negative charged surface: 210.89	Volume: 204.25
Hydrophobic surface: 387.308	Hydrophilic surface: 34.773

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.