Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2c(c1)N(CCN1CCC(O)CC1)CCC2 |
MW: | 339.461 |
Fraction sp3: | 0.62 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 86.87 |
cLogP: | 0.543299999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
MAK-UNK-0b1cbb06-3
0.621
PET-SGC-6a1b02a9-1
0.575
PET-SGC-abcbce68-1
0.568
MAK-UNK-0b1cbb06-4
0.561
DUN-NEW-f8ce3686-14
0.554
PAU-UNI-2d648ace-1
0.524
PET-SGC-616b7348-1
0.512
PET-SGC-c4a91520-1
0.500
NAU-LAT-42d4957e-3
0.481
PAU-UNI-f4334617-1
0.473
NAU-LAT-42d4957e-2
0.472
MAK-UNK-10799360-30
0.467
PET-SGC-05cff2e1-1
0.467
PET-SGC-59809fea-1
0.467
AAR-POS-d2a4d1df-4
0.457
MAK-UNK-10799360-15
0.453
NAU-LAT-42d4957e-4
0.451
PET-SGC-210d4c30-1
0.446
PET-SGC-f913cec9-1
0.446
NAU-LAT-42d4957e-5
0.443
TAM-UNI-c140e31a-6
0.438
MAK-UNK-0b1cbb06-2
0.437
PET-SGC-f913cec9-2
0.433
PET-SGC-fc67af9f-1
0.422
HAR-NEW-e34cb1ae-6
0.417
PET-SGC-481b48b7-1
0.410
WIL-WAB-1289c0dd-2
0.404
DAR-DIA-37454fd7-1
0.390
JAR-IMP-ed466bb3-6
0.382
HEI-REL-0c990a45-1
0.368
DAR-DIA-37454fd7-2
0.367
JOK-SYG-ac99ed27-1
0.356
DAR-DIA-37454fd7-3
0.354
TRY-UNI-1fd04853-4
0.345
JOK-SYG-6ec557d2-1
0.344
MAK-UNK-0b1cbb06-5
0.333
HAR-NEW-e34cb1ae-5
0.330
TAM-UNI-c140e31a-4
0.324
MAK-UNK-0b1cbb06-1
0.319
MAK-UNK-9a6be56d-1
0.314
MAK-UNK-9a6be56d-2
0.311
ASH-SAT-43770c7d-2
0.309
HEI-REL-0c990a45-2
0.297
TAM-UNI-c140e31a-12
0.296
STU-CHA-83dacf15-3
0.293
TAM-UNI-c140e31a-17
0.292
STE-NAN-bafe64f0-1
0.291
STU-CHA-83dacf15-2
0.289
HEI-REL-0c990a45-6
0.282
HEI-REL-0c990a45-3
0.280
STU-CHA-83dacf15-1
0.278
IND-SYN-8f867502-2
0.275
TAM-UNI-c140e31a-1
0.275
MAK-UNK-e4a48a85-9
0.274
WAR-XCH-b72a1bbc-14
0.273
IND-SYN-058869ff-1
0.272
IND-SYN-8f867502-3
0.272
JAC-UNI-14c2e728-1
0.272
MAK-UNK-9a6be56d-11
0.270
HAR-NEW-e34cb1ae-4
0.270
TAM-UNI-c140e31a-14
0.267
MAK-UNK-9a6be56d-18
0.267
MAK-UNK-1cb0e944-13
0.266
MAK-UNK-1cb0e944-9
0.265
MAK-UNK-9a6be56d-17
0.262
MAK-UNK-9a6be56d-9
0.262
MAR-TRE-6a44bbf2-33
0.262
SAD-SAT-5b1897b2-7
0.262
MAK-UNK-9a6be56d-22
0.260
MAK-UNK-9a6be56d-8
0.260
MAK-UNK-9a6be56d-23
0.260
MAK-UNK-9a6be56d-15
0.258
MAK-UNK-9a6be56d-16
0.258
HAR-NEW-e34cb1ae-2
0.257
MAK-UNK-9a6be56d-21
0.256
JAR-IMP-ed466bb3-1
0.255
TAM-UNI-c140e31a-9
0.254
HAR-NEW-e34cb1ae-3
0.254
MAK-UNK-9a6be56d-10
0.254
MAK-UNK-9a6be56d-12
0.254
MAK-UNK-9a6be56d-24
0.254
IND-SYN-8f867502-1
0.253
MAK-UNK-acefcb18-25
0.253
MAK-UNK-90d0606b-6
0.252
TAM-UNI-c140e31a-13
0.250
STE-NAN-bafe64f0-3
0.248
MAK-UNK-9a6be56d-14
0.248
TAM-UNI-c140e31a-8
0.248
MAK-UNK-1cb0e944-10
0.247
HAR-NEW-e34cb1ae-8
0.247
MAK-UNK-1cb0e944-5
0.247
MAK-UNK-5e88aa6a-10
0.247
WAR-XCH-b72a1bbc-6
0.247
MAK-UNK-9a6be56d-19
0.246
MAK-UNK-acefcb18-26
0.245
TAM-UNI-c140e31a-7
0.245
STU-CHA-7e77017b-1
0.245
WAR-XCH-b72a1bbc-26
0.245
PED-UNI-89deb5c9-1
0.245
WIL-LEE-23e8b574-7
0.244