MMsINC Database Search


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MMsINC code: MMs02324700

Type: Neutral
Formula: C₁₃H₉FO

SMILES:

Fc1cc2Cc3cc(O)ccc3-c2cc1

InChI:

InChI=1/C13H9FO/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7,15H,5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.4943 kcal/mol

Physical Properties
Molecular Weight: 200.212 g/mol	logS: -4.21517	SlogP: 3.10247	Reactive groups: 0

Topological Properties
Globularity: 0.0121198	Sterimol/B1: 2.32631	Sterimol/B2: 2.43028	Sterimol/B3: 2.74447
Sterimol/B4: 5.16887	Sterimol/L: 12.8661

Surface and Volume Properties
Accessible surface: 386.963	Positive charged surface: 206.055	Negative charged surface: 169.107	Volume: 187.875
Hydrophobic surface: 335.034	Hydrophilic surface: 51.929

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.