MMsINC Database Search


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MMsINC code: MMs00229562

Type: Neutral
Formula: C₂₂H₂₃FN₂O₃

SMILES:

Fc1ccccc1C1N(CCN(C)C)C(=O)C(=O)C1C(=O)c1ccc(cc1)C

InChI:

InChI=1/C22H23FN2O3/c1-14-8-10-15(11-9-14)20(26)18-19(16-6-4-5-7-17(16)23)25(13-12-24(2)3)22(28)21(18)27/h4-11,18-19H,12-13H2,1-3H3/t18-,19+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.4323 kcal/mol

Physical Properties
Molecular Weight: 382.435 g/mol	logS: -4.42773	SlogP: 2.74272	Reactive groups: 0

Topological Properties
Globularity: 0.0955545	Sterimol/B1: 3.70528	Sterimol/B2: 4.40102	Sterimol/B3: 4.91166
Sterimol/B4: 7.69171	Sterimol/L: 17.3244

Surface and Volume Properties
Accessible surface: 645.436	Positive charged surface: 395.497	Negative charged surface: 249.939	Volume: 368.125
Hydrophobic surface: 546.481	Hydrophilic surface: 98.955

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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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