MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01210754

Type: Neutral
Formula: C₂₃H₂₅FN₂O

SMILES:

Fc1ccccc1Cn1c(C(=O)NC(C)c2ccccc2)c(C)c(C)c1C

InChI:

InChI=1/C23H25FN2O/c1-15-16(2)22(23(27)25-17(3)19-10-6-5-7-11-19)26(18(15)4)14-20-12-8-9-13-21(20)24/h5-13,17H,14H2,1-4H3,(H,25,27)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.741 kcal/mol

Physical Properties
Molecular Weight: 364.464 g/mol	logS: -4.81348	SlogP: 5.45366	Reactive groups: 0

Topological Properties
Globularity: 0.136592	Sterimol/B1: 3.80048	Sterimol/B2: 3.93156	Sterimol/B3: 4.93224
Sterimol/B4: 6.66047	Sterimol/L: 14.8268

Surface and Volume Properties
Accessible surface: 589.512	Positive charged surface: 355.93	Negative charged surface: 233.582	Volume: 367.375
Hydrophobic surface: 531.597	Hydrophilic surface: 57.915

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.