Molecular Properties | |
SMILES: | CN(C)CCc1c[nH]c2ccc(S(N)(=O)=O)cc12 |
MW: | 267.354 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 79.19 |
cLogP: | 0.9194 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
ANT-OPE-47f3bb65-5
0.702
ANT-OPE-47f3bb65-2
0.597
JOH-MSK-a63bdd1d-9
0.542
MAR-UCB-195bc32d-19
0.542
TOM-OIS-cbf37265-2
0.538
LON-WEI-b8d98729-34
0.538
ANT-OPE-47f3bb65-3
0.538
ANT-OPE-47f3bb65-1
0.538
MAR-UCB-195bc32d-23
0.525
JOH-MSK-a63bdd1d-10
0.475
MAR-TRE-fffca54f-95
0.447
DAR-DIA-eace69ff-35
0.369
MAR-TRE-85681e92-10
0.359
MAR-TRE-85681e92-12
0.346
JOH-MSK-a63bdd1d-7
0.343
MAR-UNI-9ca61fdc-1
0.338
MAR-UCB-195bc32d-5
0.333
JOH-MSK-a63bdd1d-5
0.333
SAN-PRS-3c4a6997-4
0.329
MAR-UCB-195bc32d-16
0.315
JOH-MSK-a63bdd1d-4
0.315
AAR-POS-d2a4d1df-2
0.311
SAN-PRS-3c4a6997-1
0.311
NAU-LAT-81109c57-8
0.304
JOH-MSK-35a8745a-1
0.303
ALE-ACE-2610ee4d-1
0.303
MAR-UCB-195bc32d-21
0.303
DUN-NEW-f8ce3686-12
0.299
JOH-MEM-4bb7e4cc-1
0.299
MAT-GIT-deadff56-1
0.299
MAR-TRE-fd17a9b8-35
0.294
MAR-UCB-195bc32d-4
0.288
MAR-TRE-d3c2bf0e-32
0.284
NAU-LAT-81109c57-1
0.284
MAK-UNK-be5ffcbc-8
0.282
ASH-UNK-40b46b30-6
0.280
LIZ-THE-d3ff4653-2
0.279
JOH-MEM-5e386bbd-7
0.279
TOM-OIS-cbf37265-1
0.277
MAR-TRE-be9ff7d2-73
0.276
DAR-DIA-eace69ff-37
0.275
DAR-DIA-eace69ff-36
0.275
MAK-UNK-53da93bf-5
0.274
SAN-PRS-3c4a6997-2
0.274
MAR-TRE-92684b97-67
0.274
MAR-TRE-c317dd82-56
0.273
ABI-SAT-30e287c1-2
0.267
MAR-TRE-3724962b-25
0.267
SCO-VAN-260d9628-5
0.260
AMI-SHA-be6e1b75-1
0.256
AMI-SHA-0ab64bbd-1
0.256
MAR-TRE-4f39ef4a-26
0.256
PET-SGC-6062269a-1
0.253
PET-SGC-85e821e4-2
0.253
SIM-DEM-5935bd74-1
0.253
NAU-LAT-81109c57-4
0.253
FRA-LAB-04e32718-1
0.253
MAK-UNK-be5ffcbc-1
0.250
TRY-UNI-1fd04853-4
0.250
MAK-UNK-be5ffcbc-3
0.250
MAR-TRE-04c86cea-51
0.247
MAR-TRE-4f39ef4a-51
0.247
NAU-LAT-81109c57-2
0.247
MAR-TRE-85681e92-33
0.247
SIM-DEM-5935bd74-3
0.247
MAR-TRE-4f39ef4a-31
0.244
MAR-TRE-4f39ef4a-57
0.244
JAR-IMP-ed466bb3-19
0.243
LIZ-THE-57c545eb-1
0.242
MAK-UNK-be5ffcbc-7
0.242
BEN-VAN-d8fd1356-16
0.242
NAU-LAT-42d4957e-6
0.241
JOH-MSK-a63bdd1d-6
0.240
MAR-TRE-85681e92-38
0.239
MAR-TRE-85681e92-60
0.239
ANT-OPE-ab37bd51-2
0.238
MAR-TRE-3724962b-29
0.238
MAR-TRE-4f39ef4a-34
0.237
NAU-LAT-81109c57-3
0.237
JOH-MSK-a63bdd1d-1
0.235
SIM-DEM-5935bd74-2
0.234
MAR-TRE-85681e92-20
0.233
MAK-UNK-37f1d6fa-7
0.233
WAR-XCH-b6889685-54
0.233
WIL-LEE-364b6ea8-13
0.233
JOH-MSK-a63bdd1d-2
0.233
SID-UNK-90efdc9b-1
0.231
PET-SGC-85e821e4-1
0.231
SIM-DEM-5935bd74-7
0.231
MAK-UNK-10572812-17
0.229
MAT-POS-90fd5f68-29
0.228
AAR-POS-d2a4d1df-15
0.228
SIM-DEM-5935bd74-4
0.228
WAR-XCH-b6889685-56
0.228
MAR-TRE-85681e92-45
0.227
LIZ-THE-6efed59f-2
0.227
MIH-UNI-e573136b-4
0.227
FEL-WAB-fb168420-3
0.227
MAR-TRE-4f781e27-26
0.226
MAK-UNK-37f1d6fa-3
0.225