MMsINC Database Search


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MMsINC code: MMs03105488

Type: Neutral
Formula: C₁₄H₁₃FO

SMILES:

Fc1cc(OCc2ccccc2)c(cc1)C

InChI:

InChI=1/C14H13FO/c1-11-7-8-13(15)9-14(11)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.7889 kcal/mol

Physical Properties
Molecular Weight: 216.255 g/mol	logS: -3.65861	SlogP: 3.97952	Reactive groups: 0

Topological Properties
Globularity: 0.0910594	Sterimol/B1: 2.12188	Sterimol/B2: 3.6142	Sterimol/B3: 3.62122
Sterimol/B4: 6.80362	Sterimol/L: 14.0469

Surface and Volume Properties
Accessible surface: 445.971	Positive charged surface: 244.637	Negative charged surface: 201.334	Volume: 219.75
Hydrophobic surface: 441.91	Hydrophilic surface: 4.061

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.