MMsINC Database Search


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MMsINC code: MMs02734164

Type: Neutral
Formula: C₂₃H₂₀FNO₃

SMILES:

Fc1ccc(cc1)C(=O)NC(Cc1ccccc1)C(OCc1ccccc1)=O

InChI:

InChI=1/C23H20FNO3/c24-20-13-11-19(12-14-20)22(26)25-21(15-17-7-3-1-4-8-17)23(27)28-16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,25,26)/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3092 kcal/mol

Physical Properties
Molecular Weight: 377.415 g/mol	logS: -5.83143	SlogP: 4.17657	Reactive groups: 0

Topological Properties
Globularity: 0.0604768	Sterimol/B1: 2.4422	Sterimol/B2: 3.47004	Sterimol/B3: 3.91353
Sterimol/B4: 9.20359	Sterimol/L: 18.4529

Surface and Volume Properties
Accessible surface: 652.821	Positive charged surface: 357.217	Negative charged surface: 295.603	Volume: 361.625
Hydrophobic surface: 595.47	Hydrophilic surface: 57.351

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

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Ions/Tautomers related molecules: no related molecules available.