MMsINC Database Search


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MMsINC code: MMs01636137

Type: Neutral
Formula: C₁₈H₂₁FN₂O₃S

SMILES:

S(=O)(=O)(Nc1ccccc1F)c1ccc(cc1)C(=O)NCCCCC

InChI:

InChI=1/C18H21FN2O3S/c1-2-3-6-13-20-18(22)14-9-11-15(12-10-14)25(23,24)21-17-8-5-4-7-16(17)19/h4-5,7-12,21H,2-3,6,13H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.2816 kcal/mol

Physical Properties
Molecular Weight: 364.441 g/mol	logS: -5.04725	SlogP: 3.5465	Reactive groups: 0

Topological Properties
Globularity: 0.0553316	Sterimol/B1: 4.06447	Sterimol/B2: 4.15115	Sterimol/B3: 4.75435
Sterimol/B4: 6.09899	Sterimol/L: 17.409

Surface and Volume Properties
Accessible surface: 630.69	Positive charged surface: 370.323	Negative charged surface: 260.367	Volume: 331.625
Hydrophobic surface: 483.355	Hydrophilic surface: 147.335

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

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Ions/Tautomers related molecules: no related molecules available.