MMsINC Database Search


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

MMsINC code: MMs01639158

Type: Neutral
Formula: C₁₈H₁₆F₂N₂O₃

SMILES:

Fc1ccc(F)cc1C1(NC(=O)N(CCOc2ccccc2)C1=O)C

InChI:

InChI=1/C18H16F2N2O3/c1-18(14-11-12(19)7-8-15(14)20)16(23)22(17(24)21-18)9-10-25-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,21,24)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.2813 kcal/mol

Physical Properties
Molecular Weight: 346.333 g/mol	logS: -4.56428	SlogP: 3.1223	Reactive groups: 0

Topological Properties
Globularity: 0.0940977	Sterimol/B1: 1.98601	Sterimol/B2: 3.64359	Sterimol/B3: 3.98693
Sterimol/B4: 6.37914	Sterimol/L: 17.3107

Surface and Volume Properties
Accessible surface: 562.414	Positive charged surface: 303.213	Negative charged surface: 259.201	Volume: 304.5
Hydrophobic surface: 472.947	Hydrophilic surface: 89.467

Pharmacophoric Properties
Hydrogen bond donors: 1	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.