MMsINC Database Search


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MMsINC code: MMs00668633

Type: Neutral
Formula: C₂₃H₂₀FNO₃

SMILES:

Fc1ccc(NC(=O)CCC(OC(c2ccccc2)c2ccccc2)=O)cc1

InChI:

InChI=1/C23H20FNO3/c24-19-11-13-20(14-12-19)25-21(26)15-16-22(27)28-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,23H,15-16H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.5618 kcal/mol

Physical Properties
Molecular Weight: 377.415 g/mol	logS: -5.58976	SlogP: 4.9727	Reactive groups: 1

Topological Properties
Globularity: 0.0758768	Sterimol/B1: 2.43186	Sterimol/B2: 3.4065	Sterimol/B3: 4.56737
Sterimol/B4: 9.08565	Sterimol/L: 18.8066

Surface and Volume Properties
Accessible surface: 677.577	Positive charged surface: 373.038	Negative charged surface: 304.539	Volume: 363
Hydrophobic surface: 610.099	Hydrophilic surface: 67.478

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.