MMsINC Database Search


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MMsINC code: MMs00164223

Type: Neutral
Formula: C₁₇H₁₂FNO

SMILES:

Fc1cc(NC(=O)c2cc3c(cc2)cccc3)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9162 kcal/mol

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

Topological Properties
Globularity: 0.0124221	Sterimol/B1: 2.57159	Sterimol/B2: 2.64071	Sterimol/B3: 4.10169
Sterimol/B4: 4.19072	Sterimol/L: 16.4582

Surface and Volume Properties
Accessible surface: 489.936	Positive charged surface: 237.506	Negative charged surface: 241.616	Volume: 253.125
Hydrophobic surface: 452.637	Hydrophilic surface: 37.299

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.