MMsINC Database Search


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

MMsINC code: MMs01391896

Type: Neutral
Formula: C₂₀H₁₉FN₂O

SMILES:

Fc1cc(C)c(NC(C(=O)Nc2cc3c(cc2)cccc3)C)cc1

InChI:

InChI=1/C20H19FN2O/c1-13-11-17(21)8-10-19(13)22-14(2)20(24)23-18-9-7-15-5-3-4-6-16(15)12-18/h3-12,14,22H,1-2H3,(H,23,24)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.91 kcal/mol

Physical Properties
Molecular Weight: 322.383 g/mol	logS: -5.83831	SlogP: 4.72642	Reactive groups: 0

Topological Properties
Globularity: 0.0373478	Sterimol/B1: 2.18394	Sterimol/B2: 2.64732	Sterimol/B3: 4.20513
Sterimol/B4: 7.1341	Sterimol/L: 18.419

Surface and Volume Properties
Accessible surface: 592.717	Positive charged surface: 315.643	Negative charged surface: 264.607	Volume: 315.5
Hydrophobic surface: 533.065	Hydrophilic surface: 59.652

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