Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1cccnc1)CCC2 |
MW: | 346.412 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 105.39 |
cLogP: | 1.1203 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1317948551 |
Enamine Extended REAL: | s_2230____7463156____4933042 |
Dye 22
TAM-UNI-c140e31a-12
0.709
TAM-UNI-c140e31a-14
0.659
PET-SGC-59809fea-1
0.644
TAM-UNI-c140e31a-1
0.568
TAM-UNI-c140e31a-13
0.547
TAM-UNI-c140e31a-7
0.534
MAK-UNK-0b1cbb06-4
0.500
PET-SGC-05cff2e1-1
0.490
MAK-UNK-0b1cbb06-3
0.474
PET-SGC-fc67af9f-1
0.471
MAR-TRE-2fd8122f-78
0.469
PET-SGC-6a1b02a9-1
0.464
NAU-LAT-42d4957e-5
0.451
DUN-NEW-f8ce3686-14
0.447
MAK-UNK-0b1cbb06-2
0.446
NAU-LAT-42d4957e-4
0.443
MAR-TRE-2fd8122f-37
0.442
PET-SGC-abcbce68-1
0.442
PET-SGC-908c18f3-1
0.438
PET-SGC-616b7348-1
0.435
CHR-SOS-e960e883-3
0.429
PET-SGC-c4a91520-1
0.424
CHA-MCP-85291e1d-2
0.424
CHR-SOS-e960e883-2
0.419
JAR-IMP-ed466bb3-6
0.419
MAK-UNK-9a6be56d-1
0.417
TAM-UNI-c140e31a-4
0.416
CHR-SOS-e960e883-1
0.411
CHA-MCP-85291e1d-4
0.409
MAR-TRE-3e4e6814-80
0.408
PAU-UNI-2d648ace-1
0.402
MAK-UNK-9a6be56d-2
0.402
WIL-WAB-1289c0dd-2
0.400
CHR-SOS-70e4c98a-9
0.400
NAU-LAT-64f4b287-10
0.398
CHR-SOS-70e4c98a-11
0.396
CHR-SOS-70e4c98a-7
0.394
AAR-POS-d2a4d1df-4
0.392
CHR-SOS-70e4c98a-4
0.392
MAR-TRE-2fd8122f-54
0.391
NAU-LAT-42d4957e-2
0.390
DAR-DIA-37454fd7-3
0.388
PET-SGC-f913cec9-1
0.387
CHR-SOS-70e4c98a-2
0.385
CHR-SOS-70e4c98a-12
0.384
TAM-UNI-c140e31a-17
0.381
PAU-UNI-f4334617-1
0.381
MAR-TRE-67513f76-73
0.379
DAR-DIA-37454fd7-2
0.377
PET-SGC-f913cec9-2
0.377
DAR-DIA-37454fd7-1
0.375
PET-SGC-210d4c30-1
0.375
BEN-DND-6de5dfa0-13
0.375
BEN-DND-93268d01-12
0.375
MAK-UNK-10799360-30
0.375
NAU-LAT-42d4957e-3
0.374
MAR-TRE-4b834d9a-63
0.371
MAR-TRE-9c797165-52
0.371
MAR-TRE-67513f76-81
0.370
MAR-TRE-f6f5f473-46
0.368
SAD-SAT-f25ee457-7
0.365
MAR-TRE-d0525fbf-45
0.364
MAK-UNK-10799360-15
0.364
MAR-TRE-b77b7921-91
0.363
SAD-SAT-f25ee457-8
0.363
MAR-TRE-7f7bb9f0-76
0.360
JOH-IMS-62aeb97d-5
0.360
MAK-UNK-ca11b4f7-1
0.360
BEN-DND-362d364a-10
0.360
MAR-TRE-2fd8122f-98
0.359
MAK-UNK-9a6be56d-11
0.358
MAR-TRE-2fd8122f-17
0.357
MAR-TRE-2fd8122f-30
0.357
MAR-TRE-7f7bb9f0-28
0.356
CHA-MCP-85291e1d-5
0.356
KEI-TRE-d5e2018a-45
0.355
MAR-TRE-b77b7921-52
0.354
MAR-TRE-2fd8122f-39
0.354
MAR-TRE-2fd8122f-59
0.354
MAK-UNK-9a6be56d-10
0.353
MAR-TRE-d0525fbf-64
0.351
KEI-TRE-d5e2018a-74
0.351
MAR-TRE-d0525fbf-33
0.350
MAR-TRE-2fd8122f-83
0.350
ALE-HEI-f28a35b5-14
0.350
MAR-TRE-2fd8122f-5
0.350
FRA-FAC-9ed5a63a-2
0.349
MED-UNK-e6e8ef8a-2
0.349
MAR-TRE-b77b7921-81
0.349
MAR-TRE-4b834d9a-31
0.348
MAR-TRE-c317dd82-59
0.347
CHR-SOS-7098f804-15
0.347
SAD-SAT-135344c3-10
0.347
MAR-TRE-2fd8122f-63
0.347
SAN-PRS-52b81272-2
0.346
MAR-TRE-7f7bb9f0-49
0.345
CHR-SOS-f7373dd1-5
0.345
MAR-TRE-04c86cea-97
0.344
PET-SGC-481b48b7-1
0.344
BEN-DND-362d364a-11
0.343