MMsINC Database Search


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MMsINC code: MMs02032534

Type: Neutral
Formula: C₁₈H₁₇FN₂O₃S

SMILES:

S(=O)(=O)(Nc1cc2CC(=O)N3CCCc(c1)c23)c1cc(C)c(F)cc1

InChI:

InChI=1/C18H17FN2O3S/c1-11-7-15(4-5-16(11)19)25(23,24)20-14-8-12-3-2-6-21-17(22)10-13(9-14)18(12)21/h4-5,7-9,20H,2-3,6,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.4987 kcal/mol

Physical Properties
Molecular Weight: 360.409 g/mol	logS: -4.16778	SlogP: 2.77016	Reactive groups: 0

Topological Properties
Globularity: 0.221348	Sterimol/B1: 2.37094	Sterimol/B2: 2.51183	Sterimol/B3: 6.21352
Sterimol/B4: 7.30865	Sterimol/L: 13.5586

Surface and Volume Properties
Accessible surface: 554.014	Positive charged surface: 336.994	Negative charged surface: 217.02	Volume: 311.625
Hydrophobic surface: 423.184	Hydrophilic surface: 130.83

Pharmacophoric Properties
Hydrogen bond donors: 1	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.