MMsINC Database Search


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MMsINC code: MMs00306077

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/h4-11,19,27H,12-13H2,1-3H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3873 kcal/mol

Physical Properties
Molecular Weight: 382.435 g/mol	logS: -4.52939	SlogP: 3.36952	Reactive groups: 1

Topological Properties
Globularity: 0.193998	Sterimol/B1: 2.64767	Sterimol/B2: 3.46831	Sterimol/B3: 6.88544
Sterimol/B4: 9.27396	Sterimol/L: 15.9886

Surface and Volume Properties
Accessible surface: 641.161	Positive charged surface: 414.598	Negative charged surface: 226.563	Volume: 368.125
Hydrophobic surface: 533.137	Hydrophilic surface: 108.024

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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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