Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2c(c1)N(CCC(=O)c1c[nH]c3ncccc13)CCC2 |
MW: | 384.461 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 109.15 |
cLogP: | 2.2359 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketone
Dye 22
PET-SGC-fc67af9f-1
0.602
PET-SGC-59809fea-1
0.490
TAM-UNI-c140e31a-4
0.490
PET-SGC-6a1b02a9-1
0.484
MAK-UNK-0b1cbb06-3
0.477
PET-SGC-05cff2e1-1
0.476
DUN-NEW-f8ce3686-14
0.467
NAU-LAT-42d4957e-2
0.466
PET-SGC-abcbce68-1
0.462
PET-SGC-616b7348-1
0.455
TAM-UNI-c140e31a-17
0.454
TAM-UNI-c140e31a-6
0.451
MAK-UNK-0b1cbb06-4
0.447
PET-SGC-908c18f3-1
0.443
PAU-UNI-2d648ace-1
0.423
MAK-UNK-10799360-30
0.422
PET-SGC-f913cec9-1
0.419
PET-SGC-c4a91520-1
0.416
PET-SGC-f913cec9-2
0.408
TAM-UNI-c140e31a-8
0.405
PAU-UNI-f4334617-1
0.402
ASH-UNK-40b46b30-18
0.400
MAK-UNK-10799360-15
0.398
MAK-UNK-0b1cbb06-2
0.394
TAM-UNI-c140e31a-9
0.393
PET-SGC-210d4c30-1
0.383
TAM-UNI-c140e31a-5
0.378
TAM-UNI-c140e31a-18
0.377
NAU-LAT-42d4957e-4
0.376
AAR-POS-d2a4d1df-4
0.371
DAR-DIA-37454fd7-2
0.352
WIL-WAB-1289c0dd-2
0.347
ASH-UNK-40b46b30-14
0.342
DAR-DIA-37454fd7-1
0.339
MAK-UNK-9a6be56d-2
0.333
DAR-DIA-37454fd7-3
0.331
JAR-IMP-ed466bb3-6
0.331
MAK-UNK-9a6be56d-1
0.326
TAM-UNI-c140e31a-12
0.324
NAU-LAT-42d4957e-3
0.317
COM-UCB-1ef4e90e-19
0.316
MAR-TRE-3159af1a-58
0.314
AAR-POS-d2a4d1df-20
0.311
MAR-TRE-3159af1a-35
0.310
PET-SGC-481b48b7-1
0.305
MAR-TRE-3159af1a-72
0.305
SID-UNK-90efdc9b-1
0.302
RED-RED-10c9212c-43
0.299
HEI-REL-0c990a45-1
0.299
TAM-UNI-c140e31a-14
0.298
MAR-TRE-3159af1a-93
0.296
MAR-TRE-3159af1a-19
0.295
JOK-SYG-6ec557d2-1
0.295
MAR-TRE-3159af1a-43
0.294
TAM-UNI-c140e31a-1
0.293
JOK-SYG-ac99ed27-1
0.291
HAR-NEW-e34cb1ae-6
0.287
MAK-UNK-9a6be56d-8
0.287
MAK-UNK-9a6be56d-11
0.287
MAR-TRE-3159af1a-42
0.283
HAR-NEW-e34cb1ae-5
0.283
NIC-BIO-174c9b04-2
0.283
NIC-BIO-25446079-2
0.283
HAR-NEW-e34cb1ae-3
0.282
SAD-SAT-f25ee457-5
0.282
MAK-UNK-9a6be56d-10
0.281
MAK-UNK-9a6be56d-12
0.281
NIC-BIO-174c9b04-3
0.279
HAR-NEW-e34cb1ae-4
0.278
SID-UNK-90efdc9b-2
0.278
MAK-UNK-9a6be56d-14
0.275
MAK-UNK-9a6be56d-15
0.275
MAR-TRE-3159af1a-89
0.275
NIC-BIO-5044b423-1
0.275
NIC-BIO-25446079-3
0.275
MAR-TRE-3159af1a-67
0.274
SID-ELM-1f105489-9
0.274
IND-SYN-3aa4e743-1
0.274
IND-SYN-6c8299e8-5
0.274
SWA-SYN-6423ea73-4
0.274
SWA-SYN-d2e6fa14-4
0.274
MAK-UNK-9a6be56d-19
0.273
MAR-TRE-3159af1a-2
0.273
MAK-UNK-9a6be56d-24
0.272
SAD-SAT-f25ee457-6
0.272
NIC-BIO-2722da07-1
0.272
TAM-UNI-c140e31a-13
0.272
MAR-TRE-3159af1a-36
0.270
MAK-UNK-9a6be56d-9
0.270
MAR-TRE-3159af1a-81
0.269
NIC-BIO-174c9b04-1
0.269
MAK-UNK-9a6be56d-23
0.268
MAK-UNK-9a6be56d-22
0.268
MAR-TRE-3159af1a-65
0.268
MAK-UNK-0b1cbb06-5
0.267
TAM-UNI-c140e31a-7
0.267
MAR-TRE-3159af1a-74
0.266
NIC-BIO-25446079-4
0.266
MAR-TRE-3159af1a-70
0.264
MAK-UNK-9a6be56d-21
0.264