MMsINC Database Search


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MMsINC code: MMs03779985

Type: Neutral
Formula: C₁₁H₁₄F₂O₃

SMILES:

Fc1cc(F)c(cc1COC(CO)CO)C

InChI:

InChI=1/C11H14F2O3/c1-7-2-8(11(13)3-10(7)12)6-16-9(4-14)5-15/h2-3,9,14-15H,4-6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.0658 kcal/mol

Physical Properties
Molecular Weight: 232.226 g/mol	logS: -1.84643	SlogP: 1.40942	Reactive groups: 0

Topological Properties
Globularity: 0.101246	Sterimol/B1: 2.09342	Sterimol/B2: 3.72256	Sterimol/B3: 3.73644
Sterimol/B4: 6.9278	Sterimol/L: 12.3368

Surface and Volume Properties
Accessible surface: 445.448	Positive charged surface: 302.08	Negative charged surface: 143.368	Volume: 206.375
Hydrophobic surface: 356.747	Hydrophilic surface: 88.701

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.