MMsINC Database Search


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

MMsINC code: MMs01433388

Type: Neutral
Formula: C₂₄H₂₅FN₂O₃

SMILES:

Fc1ccc(cc1)CNC(=O)CN(C(=O)Cc1c2c(oc1)cc1CCCc1c2)CC

InChI:

InChI=1/C24H25FN2O3/c1-2-27(14-23(28)26-13-16-6-8-20(25)9-7-16)24(29)12-19-15-30-22-11-18-5-3-4-17(18)10-21(19)22/h6-11,15H,2-5,12-14H2,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5724 kcal/mol

Physical Properties
Molecular Weight: 408.473 g/mol	logS: -6.8555	SlogP: 4.03431	Reactive groups: 0

Topological Properties
Globularity: 0.0716366	Sterimol/B1: 2.20661	Sterimol/B2: 3.33602	Sterimol/B3: 4.49869
Sterimol/B4: 10.9264	Sterimol/L: 18.6759

Surface and Volume Properties
Accessible surface: 723.206	Positive charged surface: 446.218	Negative charged surface: 273.071	Volume: 394.25
Hydrophobic surface: 619.048	Hydrophilic surface: 104.158

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.