MMsINC Database Search


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

MMsINC code: MMs02101251

Type: Neutral
Formula: C₁₈H₁₈F₂N₂O₃

SMILES:

FC(F)(Oc1cc(cc(c1)C)C)C(=O)Nc1ccc(NC(=O)C)cc1

InChI:

InChI=1/C18H18F2N2O3/c1-11-8-12(2)10-16(9-11)25-18(19,20)17(24)22-15-6-4-14(5-7-15)21-13(3)23/h4-10H,1-3H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.739 kcal/mol

Physical Properties
Molecular Weight: 348.349 g/mol	logS: -5.34828	SlogP: 4.29204	Reactive groups: 0

Topological Properties
Globularity: 0.0183751	Sterimol/B1: 2.10967	Sterimol/B2: 3.08171	Sterimol/B3: 3.28471
Sterimol/B4: 7.218	Sterimol/L: 19.8138

Surface and Volume Properties
Accessible surface: 615.652	Positive charged surface: 338.315	Negative charged surface: 277.337	Volume: 314
Hydrophobic surface: 464.81	Hydrophilic surface: 150.842

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