MMsINC Database Search


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MMsINC code: MMs02666285

Type: Neutral
Formula: C₁₅H₁₀FNO

SMILES:

Fc1ccc(-n2cc(c3c2cccc3)C=O)cc1

InChI:

InChI=1/C15H10FNO/c16-12-5-7-13(8-6-12)17-9-11(10-18)14-3-1-2-4-15(14)17/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.2153 kcal/mol

Physical Properties
Molecular Weight: 239.249 g/mol	logS: -3.69374	SlogP: 3.5821	Reactive groups: 1

Topological Properties
Globularity: 0.0550081	Sterimol/B1: 2.58156	Sterimol/B2: 3.19141	Sterimol/B3: 3.27584
Sterimol/B4: 7.46199	Sterimol/L: 12.7676

Surface and Volume Properties
Accessible surface: 433.318	Positive charged surface: 207.326	Negative charged surface: 220.149	Volume: 226.125
Hydrophobic surface: 358.998	Hydrophilic surface: 74.32

Pharmacophoric Properties
Hydrogen bond donors: 0	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.