MMsINC Database Search


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MMsINC code: MMs01060065

Type: Neutral
Formula: C₂₅H₂₃FN₂O

SMILES:

Fc1ccccc1CNC(=O)c1cc2c(n(Cc3ccccc3)c(C)c2C)cc1

InChI:

InChI=1/C25H23FN2O/c1-17-18(2)28(16-19-8-4-3-5-9-19)24-13-12-20(14-22(17)24)25(29)27-15-21-10-6-7-11-23(21)26/h3-14H,15-16H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.4953 kcal/mol

Physical Properties
Molecular Weight: 386.47 g/mol	logS: -6.01956	SlogP: 5.90834	Reactive groups: 0

Topological Properties
Globularity: 0.061329	Sterimol/B1: 2.26588	Sterimol/B2: 3.01601	Sterimol/B3: 4.67314
Sterimol/B4: 9.66384	Sterimol/L: 17.729

Surface and Volume Properties
Accessible surface: 677.457	Positive charged surface: 372.531	Negative charged surface: 299.12	Volume: 385
Hydrophobic surface: 616.86	Hydrophilic surface: 60.597

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.