MMsINC Database Search


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MMsINC code: MMs00893457

Type: Neutral
Formula: C₂₃H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)-c1n(CC(=O)Nc2cccc(C)c2C)c(C)c(c1)C(=O)C

InChI:

InChI=1/C23H23FN2O2/c1-14-6-5-7-21(15(14)2)25-23(28)13-26-16(3)20(17(4)27)12-22(26)18-8-10-19(24)11-9-18/h5-12H,13H2,1-4H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.331 kcal/mol

Physical Properties
Molecular Weight: 378.447 g/mol	logS: -5.66875	SlogP: 5.32716	Reactive groups: 0

Topological Properties
Globularity: 0.111962	Sterimol/B1: 3.98537	Sterimol/B2: 4.65782	Sterimol/B3: 5.00475
Sterimol/B4: 8.03597	Sterimol/L: 16.4974

Surface and Volume Properties
Accessible surface: 642.753	Positive charged surface: 361.337	Negative charged surface: 281.416	Volume: 366.875
Hydrophobic surface: 581.18	Hydrophilic surface: 61.573

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.