MMsINC Database Search


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MMsINC code: MMs00628002

Type: Neutral
Formula: C₁₄H₁₃FO₂

SMILES:

Fc1ccccc1COc1ccccc1CO

InChI:

InChI=1/C14H13FO2/c15-13-7-3-1-6-12(13)10-17-14-8-4-2-5-11(14)9-16/h1-8,16H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.0529 kcal/mol

Physical Properties
Molecular Weight: 232.254 g/mol	logS: -3.26916	SlogP: 3.4298	Reactive groups: 0

Topological Properties
Globularity: 0.0102034	Sterimol/B1: 2.37495	Sterimol/B2: 2.37708	Sterimol/B3: 3.48753
Sterimol/B4: 6.24324	Sterimol/L: 13.8341

Surface and Volume Properties
Accessible surface: 455.061	Positive charged surface: 257.431	Negative charged surface: 197.63	Volume: 223.125
Hydrophobic surface: 396.295	Hydrophilic surface: 58.766

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.