MMsINC Database Search


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MMsINC code: MMs03141904

Type: Neutral
Formula: C₁₈H₂₁FN₂O₄S

SMILES:

S(=O)(=O)(N(Cc1ccccc1F)CC(=O)NCCO)c1ccc(cc1)C

InChI:

InChI=1/C18H21FN2O4S/c1-14-6-8-16(9-7-14)26(24,25)21(13-18(23)20-10-11-22)12-15-4-2-3-5-17(15)19/h2-9,22H,10-13H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.1045 kcal/mol

Physical Properties
Molecular Weight: 380.44 g/mol	logS: -3.80527	SlogP: 1.69992	Reactive groups: 0

Topological Properties
Globularity: 0.0994702	Sterimol/B1: 2.5479	Sterimol/B2: 2.94866	Sterimol/B3: 5.12382
Sterimol/B4: 9.19813	Sterimol/L: 15.9991

Surface and Volume Properties
Accessible surface: 612.125	Positive charged surface: 386.781	Negative charged surface: 225.344	Volume: 344.625
Hydrophobic surface: 482.098	Hydrophilic surface: 130.027

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.