Molecular Properties | |
SMILES: | CN1c2cc(S(N)(=O)=O)ccc2CCC1C(=O)N1CCN(C(=O)CCl)CC1 |
MW: | 414.915 |
Fraction sp3: | 0.53 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 104.02 |
cLogP: | -0.00539999999999918 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Dye 22
HAR-NEW-e34cb1ae-6
0.699
JOK-SYG-6ec557d2-1
0.605
JOK-SYG-ac99ed27-1
0.477
HEI-REL-0c990a45-1
0.476
PAU-UNI-2d648ace-1
0.462
HEI-REL-0c990a45-6
0.398
NIR-THE-0d6461ce-5
0.385
PAU-UNI-f4334617-1
0.379
STU-CHA-83dacf15-1
0.372
STE-NAN-bafe64f0-1
0.366
ASH-SAT-43770c7d-2
0.362
ABB-MCD-f8003a30-1
0.361
MAR-TRE-6a44bbf2-32
0.361
STU-CHA-7e77017b-1
0.361
MAK-UNK-10799360-30
0.359
PED-UNI-d0b586b3-1
0.355
AAR-POS-d2a4d1df-4
0.354
MAK-UNK-7c9d1431-7
0.352
MAR-TRE-6a44bbf2-49
0.352
SAD-SAT-f2e2579e-5
0.352
MAK-UNK-0b1cbb06-4
0.350
MAK-UNK-0b1cbb06-3
0.349
MAK-UNK-7c9d1431-19
0.349
SAD-SAT-9a6c5cf3-6
0.347
JAY-UNK-11f5bdbd-1
0.341
SAD-SAT-581007d4-6
0.341
NAU-LAT-42d4957e-3
0.341
SEL-UNI-cd366922-7
0.341
MAR-TRE-6a44bbf2-33
0.337
SAD-SAT-5b1897b2-7
0.337
MAR-TRE-6a44bbf2-31
0.337
MAK-UNK-7c9d1431-5
0.337
DAR-DIA-fb20be43-12
0.337
MAK-UNK-10799360-15
0.336
SAD-SAT-1b030f84-8
0.333
DUN-NEW-f8ce3686-14
0.333
MAR-TRE-6a44bbf2-26
0.333
SAD-SAT-5b1897b2-9
0.333
MAK-UNK-7c9d1431-8
0.333
PET-SGC-6a1b02a9-1
0.333
SAD-SAT-581007d4-4
0.333
PET-SGC-616b7348-1
0.330
MIH-UNI-e573136b-4
0.330
PET-SGC-908c18f3-1
0.330
PET-SGC-abcbce68-1
0.330
AAR-POS-d2a4d1df-27
0.329
MAR-LAB-efb042c5-5
0.329
MAR-TRE-6a44bbf2-68
0.329
MAK-UNK-0b1cbb06-2
0.327
NIR-THE-0d6461ce-4
0.326
PET-SGC-481b48b7-1
0.326
PET-SGC-210d4c30-1
0.325
DAR-DIA-37454fd7-1
0.325
NIM-UNI-bb610069-3
0.323
NIM-UNI-594fbbb6-3
0.323
PED-UNI-89deb5c9-1
0.323
DAR-DIA-fb20be43-9
0.323
HEI-REL-0c990a45-2
0.323
PET-SGC-05cff2e1-1
0.321
MAK-UNK-9a6be56d-31
0.320
PET-SGC-c4a91520-1
0.320
NAU-LAT-42d4957e-4
0.319
SAD-SAT-581007d4-3
0.318
MAK-UNK-c74072e5-8
0.318
SAD-SAT-bc31ec01-5
0.317
TAM-UNI-c140e31a-6
0.317
MAK-UNK-7c9d1431-10
0.314
MAK-UNK-0b1cbb06-5
0.314
DAR-DIA-caba39e3-10
0.312
MAR-TRE-6a44bbf2-78
0.310
SAD-SAT-89668ff1-8
0.310
MAK-UNK-7c9d1431-13
0.310
WIL-WAB-1289c0dd-2
0.309
SAD-SAT-89668ff1-4
0.309
PET-SGC-59809fea-1
0.308
MAK-UNK-69bf97dd-4
0.307
NIR-THE-0d6461ce-1
0.307
MAK-UNK-7c9d1431-22
0.307
MAR-TRE-6a44bbf2-18
0.306
BEN-DND-03406596-10
0.306
LON-WEI-8f408cad-4
0.306
AAR-POS-d2a4d1df-23
0.306
KAT-UNK-c8a6cb16-1
0.305
JAR-IMP-ed466bb3-6
0.304
MAR-TRE-6a44bbf2-65
0.303
MAK-UNK-7c9d1431-11
0.303
TAT-ENA-80bfd3e5-43
0.303
SAD-SAT-9a6c5cf3-2
0.303
MAK-UNK-7c9d1431-17
0.302
MAK-UNK-7c9d1431-27
0.302
PEI-IMP-ca0b2813-1
0.302
DRR-IMP-dff87f5e-6
0.302
DRR-IMP-dff87f5e-9
0.302
AAR-POS-d2a4d1df-44
0.301
DRR-IMP-dff87f5e-3
0.301
MAK-UNK-704ed37c-11
0.300
SAD-SAT-9a6c5cf3-7
0.300
TAM-UNI-d1c3dd9f-5
0.299
SAD-SAT-f2e2579e-10
0.299
DRR-IMP-dff87f5e-8
0.299