MMsINC Database Search


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

MMsINC code: MMs01385260

Type: Neutral
Formula: C₁₈H₁₆ClFN₂O₂

SMILES:

Clc1cccc(F)c1CN1C(=O)C(N(c2ccc(cc2)C)C1=O)C

InChI:

InChI=1/C18H16ClFN2O2/c1-11-6-8-13(9-7-11)22-12(2)17(23)21(18(22)24)10-14-15(19)4-3-5-16(14)20/h3-9,12H,10H2,1-2H3/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.3829 kcal/mol

Physical Properties
Molecular Weight: 346.789 g/mol	logS: -5.35066	SlogP: 4.41122	Reactive groups: 0

Topological Properties
Globularity: 0.0929603	Sterimol/B1: 3.35103	Sterimol/B2: 3.62807	Sterimol/B3: 4.3979
Sterimol/B4: 6.04299	Sterimol/L: 15.501

Surface and Volume Properties
Accessible surface: 546.739	Positive charged surface: 286.737	Negative charged surface: 260.002	Volume: 307.75
Hydrophobic surface: 476.647	Hydrophilic surface: 70.092

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.