MMsINC Database Search


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MMsINC code: MMs00650518

Type: Neutral
Formula: C₂₃H₁₉FO₃

SMILES:

Fc1ccc(cc1)C(OC(C(=O)c1cc(C)c(cc1)C)c1ccccc1)=O

InChI:

InChI=1/C23H19FO3/c1-15-8-9-19(14-16(15)2)21(25)22(17-6-4-3-5-7-17)27-23(26)18-10-12-20(24)13-11-18/h3-14,22H,1-2H3/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.225 kcal/mol

Physical Properties
Molecular Weight: 362.4 g/mol	logS: -6.87658	SlogP: 5.31904	Reactive groups: 0

Topological Properties
Globularity: 0.113666	Sterimol/B1: 2.7716	Sterimol/B2: 3.53712	Sterimol/B3: 5.28461
Sterimol/B4: 7.50862	Sterimol/L: 17.4378

Surface and Volume Properties
Accessible surface: 630.095	Positive charged surface: 323.785	Negative charged surface: 306.309	Volume: 349.25
Hydrophobic surface: 571.521	Hydrophilic surface: 58.574

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.