Molecular Properties | |
SMILES: | CN(C)CCc1c[nH]c2ccc(CS(N)(=O)=O)cc12 |
MW: | 281.381 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 79.19 |
cLogP: | 1.0605 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
ANT-OPE-47f3bb65-3
0.746
TOM-OIS-cbf37265-2
0.746
LON-WEI-b8d98729-34
0.746
ANT-OPE-47f3bb65-1
0.746
ANT-OPE-47f3bb65-4
0.597
ANT-OPE-47f3bb65-5
0.538
MAR-TRE-fffca54f-95
0.527
MAR-UCB-195bc32d-19
0.516
JOH-MSK-a63bdd1d-9
0.516
MAR-UCB-195bc32d-23
0.500
JOH-MSK-a63bdd1d-10
0.452
MAR-TRE-3724962b-25
0.360
MAR-UNI-9ca61fdc-1
0.342
DAR-DIA-eace69ff-35
0.333
MAR-TRE-85681e92-10
0.329
JOH-MSK-a63bdd1d-7
0.329
TOM-OIS-cbf37265-1
0.323
JOH-MSK-a63bdd1d-5
0.321
MAR-TRE-85681e92-12
0.318
SAN-PRS-3c4a6997-4
0.316
MAR-UCB-195bc32d-5
0.304
JOH-MSK-a63bdd1d-4
0.303
MAR-UCB-195bc32d-16
0.303
AAR-POS-d2a4d1df-2
0.299
SAN-PRS-3c4a6997-1
0.299
JAR-IMP-ed466bb3-19
0.295
NAU-LAT-81109c57-8
0.293
ALE-ACE-2610ee4d-1
0.291
MAR-UCB-195bc32d-21
0.291
JOH-MSK-35a8745a-1
0.291
MAT-GIT-deadff56-1
0.287
DUN-NEW-f8ce3686-12
0.287
JOH-MEM-4bb7e4cc-1
0.287
MAR-TRE-92684b97-67
0.279
MAR-UCB-195bc32d-4
0.276
NAU-LAT-81109c57-1
0.274
MAR-TRE-d3c2bf0e-32
0.274
MAK-UNK-be5ffcbc-8
0.272
MAR-TRE-fd17a9b8-35
0.270
JOH-MEM-5e386bbd-7
0.268
MAR-TRE-4f39ef4a-51
0.267
DAR-DIA-eace69ff-37
0.264
DAR-DIA-eace69ff-36
0.264
SAN-PRS-3c4a6997-2
0.263
NAU-LAT-81109c57-4
0.258
ABI-SAT-30e287c1-2
0.256
TOM-OIS-cbf37265-3
0.256
MAR-TRE-be9ff7d2-73
0.253
MAR-TRE-c317dd82-56
0.250
SCO-VAN-260d9628-5
0.250
AAR-UNI-c25c2f1e-73
0.247
MAR-TRE-4f39ef4a-26
0.247
MAK-UNK-be5ffcbc-7
0.247
AMI-SHA-0ab64bbd-1
0.247
AMI-SHA-be6e1b75-1
0.247
FRA-LAB-04e32718-1
0.245
MAR-TRE-4f781e27-26
0.245
MAK-UNK-be5ffcbc-3
0.242
MAK-UNK-be5ffcbc-1
0.242
GAB-REV-4a4e2ff3-12
0.241
ROB-UNI-b2e39629-2
0.241
MAR-TRE-04c86cea-51
0.240
MAK-UNK-27459e11-9
0.239
JOH-IMS-54aa76a2-4
0.239
NAU-LAT-81109c57-2
0.239
MAR-TRE-85681e92-33
0.239
MAR-TRE-4f39ef4a-31
0.237
MAR-TRE-4f39ef4a-57
0.237
BEN-VAN-d8fd1356-16
0.234
RED-RED-10c9212c-42
0.234
ABI-SAT-aa268ad7-2
0.233
FEL-WAB-fb168420-3
0.232
JOH-MSK-a63bdd1d-6
0.232
MAR-TRE-85681e92-60
0.231
DAR-DIA-eace69ff-34
0.231
MAR-TRE-85681e92-38
0.231
ELE-IMP-dfb36048-5
0.231
MAR-TRE-3724962b-29
0.231
ANT-OPE-ab37bd51-2
0.230
JAN-GHE-1d98ec1c-4
0.230
MAR-TRE-4f39ef4a-34
0.229
CHA-MCP-85291e1d-6
0.227
JOH-MSK-a63bdd1d-1
0.226
MAR-TRE-85681e92-20
0.226
MAK-UNK-27459e11-16
0.225
JOH-MSK-a63bdd1d-2
0.225
WIL-LEE-364b6ea8-13
0.225
SAM-UNK-903735bd-2
0.225
ELE-IMP-dfb36048-1
0.225
SIM-DEM-265738e1-1
0.225
TAM-UNI-c140e31a-15
0.225
PET-SGC-f818f65b-1
0.225
RED-RED-10c9212c-33
0.224
MIH-UNI-3396182e-9
0.221
JAN-GHE-1d98ec1c-6
0.221
CHA-MCP-85291e1d-5
0.221
AAR-POS-0daf6b7e-46
0.221
MAR-TRE-85681e92-45
0.220
JOH-IMS-54aa76a2-1
0.219
MAR-TRE-4f39ef4a-5
0.217