Molecular Properties | |
SMILES: | CN1c2cc(S(N)(=O)=O)ccc2CCC1CN1CCN(C(=O)CCl)CC1 |
MW: | 400.13 |
Fraction sp3: | 0.59 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 86.95 |
cLogP: | 0.47 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Dye 22
HEI-REL-0c990a45-1
0.797
HAR-NEW-e34cb1ae-5
0.605
PAU-UNI-2d648ace-1
0.494
JOK-SYG-ac99ed27-1
0.477
HAR-NEW-e34cb1ae-6
0.442
STU-CHA-83dacf15-1
0.418
HEI-REL-0c990a45-6
0.398
HEI-REL-0c990a45-2
0.398
PED-UNI-89deb5c9-1
0.396
STU-CHA-7e77017b-1
0.389
MIH-UNI-e573136b-4
0.389
SEL-UNI-cd366922-7
0.386
SAD-SAT-581007d4-3
0.381
SAD-SAT-581007d4-4
0.381
DAR-DIA-fb20be43-12
0.380
DAR-DIA-fb20be43-9
0.380
PAU-UNI-f4334617-1
0.379
AAR-POS-d2a4d1df-4
0.372
NIR-THE-0d6461ce-5
0.370
PED-UNI-d0b586b3-1
0.368
STE-NAN-bafe64f0-1
0.366
ASH-SAT-43770c7d-2
0.362
MAK-UNK-10799360-30
0.359
MAR-TRE-6a44bbf2-33
0.354
SAD-SAT-5b1897b2-7
0.354
DUN-NEW-f8ce3686-14
0.348
PET-SGC-908c18f3-1
0.344
MAK-UNK-af83ef51-17
0.343
JIA-UNI-93b03cae-1
0.341
SAD-SAT-581007d4-6
0.341
PEI-IMP-ca0b2813-3
0.341
NAU-LAT-42d4957e-3
0.341
TAM-UNI-d1c3dd9f-5
0.340
MAK-UNK-7c9d1431-5
0.337
MAK-UNK-7c9d1431-7
0.337
MAR-TRE-6a44bbf2-31
0.337
MAR-TRE-6a44bbf2-49
0.337
SAD-SAT-f2e2579e-5
0.337
NIM-UNI-bb610069-3
0.337
NIM-UNI-594fbbb6-3
0.337
MAK-UNK-10799360-15
0.336
PET-SGC-6a1b02a9-1
0.333
MAR-TRE-6a44bbf2-26
0.333
MAK-UNK-0b1cbb06-3
0.333
MAK-UNK-0b1cbb06-4
0.333
MAK-UNK-7c9d1431-8
0.333
MAK-UNK-7c9d1431-19
0.333
MAK-UNK-af83ef51-15
0.330
PET-SGC-616b7348-1
0.330
PET-SGC-abcbce68-1
0.330
MAK-UNK-7c9d1431-10
0.329
ABB-MCD-f8003a30-1
0.329
MAR-TRE-6a44bbf2-32
0.329
MAR-LAB-efb042c5-5
0.329
MAR-TRE-6a44bbf2-68
0.329
AAR-POS-d2a4d1df-27
0.329
MAK-UNK-90d0606b-6
0.327
NIR-THE-0d6461ce-4
0.326
PET-SGC-481b48b7-1
0.326
JAY-UNK-11f5bdbd-1
0.325
MAK-UNK-7c9d1431-17
0.318
MAK-UNK-c74072e5-8
0.318
MAK-UNK-e4a48a85-14
0.317
STU-CHA-83dacf15-3
0.317
SAD-SAT-1b030f84-8
0.315
MAK-UNK-0b1cbb06-5
0.314
DRR-IMP-dff87f5e-7
0.313
SAD-SAT-3a925b8b-2
0.313
MAK-UNK-0b1cbb06-2
0.313
STU-CHA-83dacf15-2
0.313
STU-CHA-09bcc2f6-1
0.313
DAR-DIA-37454fd7-1
0.313
PET-SGC-210d4c30-1
0.313
TAM-UNI-d1c3dd9f-6
0.312
DRR-IMP-38dce17f-6
0.312
PAU-UNI-8cdd41c7-1
0.312
MIH-UNI-e573136b-5
0.311
MAK-UNK-7c9d1431-13
0.310
SAD-SAT-65574d3f-1
0.310
MAR-TRE-6a44bbf2-78
0.310
SAD-SAT-581007d4-2
0.310
AAR-POS-d2a4d1df-24
0.310
AHN-SAT-de2502ba-14
0.310
MAK-UNK-9a6be56d-31
0.309
PET-SGC-59809fea-1
0.308
MAK-UNK-e4a48a85-24
0.307
MAK-UNK-69bf97dd-4
0.307
SAD-SAT-9a6c5cf3-6
0.307
MAK-UNK-7c9d1431-22
0.307
MAT-POS-ee51dedd-1
0.307
TAM-UNI-d1c3dd9f-4
0.306
MAR-TRE-6a44bbf2-18
0.306
NEH-REV-107bcf72-5
0.306
LON-WEI-8f408cad-4
0.306
BEN-DND-03406596-10
0.306
AAR-POS-d2a4d1df-23
0.306
HEI-REL-0c990a45-3
0.305
NAU-LAT-42d4957e-4
0.305
DRR-IMP-38dce17f-1
0.305
KAT-UNK-c8a6cb16-1
0.305