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MMsINC code: MMs00306025

Type: Neutral
Formula: C₂₁H₂₁FN₂O₄S

SMILES:

s1cccc1C(=O)C1C(N(CCN2CCOCC2)C(=O)C1=O)c1ccccc1F

InChI:

InChI=1/C21H21FN2O4S/c22-15-5-2-1-4-14(15)18-17(19(25)16-6-3-13-29-16)20(26)21(27)24(18)8-7-23-9-11-28-12-10-23/h1-6,13,17-18H,7-12H2/t17-,18-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.329 kcal/mol

Physical Properties
Molecular Weight: 416.473 g/mol	logS: -4.05196	SlogP: 2.2664	Reactive groups: 0

Topological Properties
Globularity: 0.12987	Sterimol/B1: 2.68249	Sterimol/B2: 3.1012	Sterimol/B3: 5.85996
Sterimol/B4: 7.87053	Sterimol/L: 17.015

Surface and Volume Properties
Accessible surface: 618.154	Positive charged surface: 381.494	Negative charged surface: 236.66	Volume: 367.125
Hydrophobic surface: 504.598	Hydrophilic surface: 113.556

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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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