MMsINC Database Search


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

MMsINC code: MMs00800234

Type: Neutral
Formula: C₂₄H₁₉FN₂O₂

SMILES:

Fc1ccccc1CN1c2c(cccc2)C(O)(c2c3c([nH]c2C)cccc3)C1=O

InChI:

InChI=1/C24H19FN2O2/c1-15-22(17-9-3-6-12-20(17)26-15)24(29)18-10-4-7-13-21(18)27(23(24)28)14-16-8-2-5-11-19(16)25/h2-13,26,29H,14H2,1H3/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.392 kcal/mol

Physical Properties
Molecular Weight: 386.426 g/mol	logS: -5.83491	SlogP: 4.97602	Reactive groups: 0

Topological Properties
Globularity: 0.247214	Sterimol/B1: 2.30227	Sterimol/B2: 5.80064	Sterimol/B3: 6.23948
Sterimol/B4: 6.57194	Sterimol/L: 14.0771

Surface and Volume Properties
Accessible surface: 585.577	Positive charged surface: 340.398	Negative charged surface: 241.026	Volume: 361.75
Hydrophobic surface: 496.66	Hydrophilic surface: 88.917

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.