MMsINC Database Search


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MMsINC code: MMs01320987

Type: Neutral
Formula: C₂₃H₂₀FNO₃

SMILES:

Fc1ccccc1CC(OCC(=O)NC(c1ccccc1)c1ccccc1)=O

InChI:

InChI=1/C23H20FNO3/c24-20-14-8-7-13-19(20)15-22(27)28-16-21(26)25-23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/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)=82.8481 kcal/mol

Physical Properties
Molecular Weight: 377.415 g/mol	logS: -5.83143	SlogP: 3.91267	Reactive groups: 1

Topological Properties
Globularity: 0.0634826	Sterimol/B1: 2.46882	Sterimol/B2: 3.43748	Sterimol/B3: 4.22565
Sterimol/B4: 8.99038	Sterimol/L: 18.4418

Surface and Volume Properties
Accessible surface: 679.467	Positive charged surface: 371.002	Negative charged surface: 308.465	Volume: 361.25
Hydrophobic surface: 605.858	Hydrophilic surface: 73.609

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.