MMsINC Database Search


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

MMsINC code: MMs03148892

Type: Neutral
Formula: C₁₉H₂₉FN₂O₃S

SMILES:

S(=O)(=O)(N(CC)CC)c1cc(C(=O)NC2CCCC(C)C2C)c(F)cc1

InChI:

InChI=1/C19H29FN2O3S/c1-5-22(6-2)26(24,25)15-10-11-17(20)16(12-15)19(23)21-18-9-7-8-13(3)14(18)4/h10-14,18H,5-9H2,1-4H3,(H,21,23)/t13-,14-,18+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2978 kcal/mol

Physical Properties
Molecular Weight: 384.516 g/mol	logS: -4.5821	SlogP: 3.4107	Reactive groups: 0

Topological Properties
Globularity: 0.0880915	Sterimol/B1: 2.61448	Sterimol/B2: 2.87782	Sterimol/B3: 5.65539
Sterimol/B4: 7.47569	Sterimol/L: 17.0669

Surface and Volume Properties
Accessible surface: 615.826	Positive charged surface: 390.202	Negative charged surface: 225.624	Volume: 364.125
Hydrophobic surface: 461.092	Hydrophilic surface: 154.734

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.