MMsINC Database Search


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

MMsINC code: MMs01487174

Type: Neutral
Formula: C₂₀H₂₃FN₂O₃

SMILES:

Fc1cc(NC(=O)C(NC(=O)c2ccccc2OCC)C(C)C)ccc1

InChI:

InChI=1/C20H23FN2O3/c1-4-26-17-11-6-5-10-16(17)19(24)23-18(13(2)3)20(25)22-15-9-7-8-14(21)12-15/h5-13,18H,4H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.075 kcal/mol

Physical Properties
Molecular Weight: 358.413 g/mol	logS: -4.93076	SlogP: 3.6175	Reactive groups: 0

Topological Properties
Globularity: 0.08219	Sterimol/B1: 2.41278	Sterimol/B2: 2.59442	Sterimol/B3: 6.19384
Sterimol/B4: 7.62591	Sterimol/L: 17.8545

Surface and Volume Properties
Accessible surface: 629.297	Positive charged surface: 381.086	Negative charged surface: 248.21	Volume: 342.875
Hydrophobic surface: 520.436	Hydrophilic surface: 108.861

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.