MMsINC Database Search


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MMsINC code: MMs00491995

Type: Neutral
Formula: C₁₇H₁₂FNO

SMILES:

Fc1ccc(cc1)C(=O)Nc1c2c(ccc1)cccc2

InChI:

InChI=1/C17H12FNO/c18-14-10-8-13(9-11-14)17(20)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1768 kcal/mol

Physical Properties
Molecular Weight: 265.287 g/mol	logS: -5.52773	SlogP: 4.2312	Reactive groups: 0

Topological Properties
Globularity: 0.0119989	Sterimol/B1: 2.30188	Sterimol/B2: 2.82357	Sterimol/B3: 3.11902
Sterimol/B4: 6.89047	Sterimol/L: 15.0553

Surface and Volume Properties
Accessible surface: 484.38	Positive charged surface: 227.477	Negative charged surface: 245.831	Volume: 252.125
Hydrophobic surface: 453.795	Hydrophilic surface: 30.585

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.