MMsINC Database Search


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MMsINC code: MMs01557650

Type: Neutral
Formula: C₂₃H₂₀FNO₃

SMILES:

Fc1ccc(cc1)C(=O)c1ccc(OCC(=O)NC(C)c2ccccc2)cc1

InChI:

InChI=1/C23H20FNO3/c1-16(17-5-3-2-4-6-17)25-22(26)15-28-21-13-9-19(10-14-21)23(27)18-7-11-20(24)12-8-18/h2-14,16H,15H2,1H3,(H,25,26)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.55 kcal/mol

Physical Properties
Molecular Weight: 377.415 g/mol	logS: -6.07073	SlogP: 4.4084	Reactive groups: 0

Topological Properties
Globularity: 0.0384647	Sterimol/B1: 2.04106	Sterimol/B2: 2.50917	Sterimol/B3: 5.71778
Sterimol/B4: 5.79731	Sterimol/L: 21.2342

Surface and Volume Properties
Accessible surface: 666.797	Positive charged surface: 354.996	Negative charged surface: 311.801	Volume: 361.25
Hydrophobic surface: 566.716	Hydrophilic surface: 100.081

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.