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MMsINC code: MMs00943160

Type: Neutral
Formula: C₁₈H₂₇FN₂O₃S

SMILES:

S(=O)(=O)(Cc1ccccc1F)CCC(=O)NCCN1CCCCC1C

InChI:

InChI=1/C18H27FN2O3S/c1-15-6-4-5-11-21(15)12-10-20-18(22)9-13-25(23,24)14-16-7-2-3-8-17(16)19/h2-3,7-8,15H,4-6,9-14H2,1H3,(H,20,22)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.0729 kcal/mol

Physical Properties
Molecular Weight: 370.489 g/mol	logS: -2.79833	SlogP: 2.3876	Reactive groups: 0

Topological Properties
Globularity: 0.0244419	Sterimol/B1: 2.09102	Sterimol/B2: 3.21876	Sterimol/B3: 3.49002
Sterimol/B4: 6.71703	Sterimol/L: 21.6413

Surface and Volume Properties
Accessible surface: 654.854	Positive charged surface: 438.175	Negative charged surface: 216.679	Volume: 349.875
Hydrophobic surface: 535.379	Hydrophilic surface: 119.475

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

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Ions/Tautomers related molecules

MMs00943161
CHEMDIV-ZINC04710367