MMsINC Database Search


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MMsINC code: MMs02134225

Type: Neutral
Formula: C₁₉H₁₈F₂O₃

SMILES:

Fc1ccc(cc1)CC(Cc1ccc(F)cc1)(C(=O)C)C(OC)=O

InChI:

InChI=1/C19H18F2O3/c1-13(22)19(18(23)24-2,11-14-3-7-16(20)8-4-14)12-15-5-9-17(21)10-6-15/h3-10H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.8039 kcal/mol

Physical Properties
Molecular Weight: 332.346 g/mol	logS: -4.21716	SlogP: 3.49834	Reactive groups: 0

Topological Properties
Globularity: 0.127257	Sterimol/B1: 2.12714	Sterimol/B2: 3.3527	Sterimol/B3: 3.71043
Sterimol/B4: 8.5796	Sterimol/L: 14.6747

Surface and Volume Properties
Accessible surface: 516.09	Positive charged surface: 280.049	Negative charged surface: 236.041	Volume: 304.375
Hydrophobic surface: 482.75	Hydrophilic surface: 33.34

Pharmacophoric Properties
Hydrogen bond donors: 0	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.