Molecular Properties | |
SMILES: | Cc1cc(CN(CCCCN2CCCc3ccc(S(N)(=O)=O)cc32)C(=O)NC2CC2)no1 |
MW: | 461.588 |
Fraction sp3: | 0.55 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 121.77 |
cLogP: | 2.53742 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Dye 22
DAR-DIA-37454fd7-1
0.773
DAR-DIA-37454fd7-3
0.657
DAR-DIA-37454fd7-2
0.591
FRA-DIA-3f9ae552-1
0.518
PET-SGC-6a1b02a9-1
0.516
PET-SGC-abcbce68-1
0.479
PAU-UNI-f4334617-1
0.455
PAU-UNI-2d648ace-1
0.453
PET-SGC-c4a91520-1
0.447
MAK-UNK-0b1cbb06-3
0.446
PET-SGC-908c18f3-1
0.446
DUN-NEW-f8ce3686-14
0.439
MAK-UNK-10799360-15
0.439
MAK-UNK-10799360-30
0.425
FRA-DIA-3f9ae552-2
0.419
PET-SGC-616b7348-1
0.415
NAU-LAT-42d4957e-2
0.414
PET-SGC-05cff2e1-1
0.412
PET-SGC-f913cec9-1
0.410
FRA-DIA-3f9ae552-3
0.408
NAU-LAT-42d4957e-4
0.408
MAK-UNK-0b1cbb06-4
0.402
PET-SGC-59809fea-1
0.400
PET-SGC-f913cec9-2
0.400
MAK-UNK-0b1cbb06-2
0.385
NAU-LAT-42d4957e-5
0.383
AAR-POS-d2a4d1df-9
0.383
SIM-SYN-3099a863-1
0.380
TAM-UNI-c140e31a-6
0.375
IFT-SAT-023cfffe-2
0.373
WIL-WAB-1289c0dd-2
0.364
PET-SGC-fc67af9f-1
0.357
AAR-POS-d2a4d1df-4
0.347
JAR-IMP-ed466bb3-6
0.347
PET-SGC-481b48b7-1
0.336
ALI-DIA-59c2fdb0-1
0.328
IFT-SAT-023cfffe-5
0.325
HAR-NEW-e34cb1ae-5
0.325
NAU-LAT-42d4957e-3
0.324
HAR-NEW-e34cb1ae-6
0.318
TRY-UNI-9f475305-6
0.314
TRY-UNI-9f475305-7
0.313
JOK-SYG-6ec557d2-1
0.313
TRY-UNI-9f475305-8
0.310
ALI-DIA-59c2fdb0-4
0.309
HEI-REL-0c990a45-1
0.306
RAF-SAT-b3ff87a1-1
0.304
MAK-UNK-0b1cbb06-5
0.301
SIM-SYN-7db9eb24-2
0.291
SAD-SAT-cefd50cc-2
0.288
TAM-UNI-c140e31a-4
0.288
JOK-SYG-ac99ed27-1
0.287
ALI-DIA-59c2fdb0-5
0.286
MAK-UNK-9a6be56d-1
0.284
MAK-UNK-987948f6-1
0.282
MAK-UNK-9a6be56d-2
0.282
SIM-SYN-3099a863-2
0.281
ALI-DIA-59c2fdb0-2
0.278
HAR-NEW-e34cb1ae-4
0.275
ALI-DIA-59c2fdb0-3
0.274
ASH-SAT-43770c7d-2
0.274
ALI-DIA-59c2fdb0-8
0.273
FRA-DIA-8640f307-1
0.273
ALI-DIA-59c2fdb0-7
0.273
FRA-DIA-8640f307-3
0.269
FRA-DIA-8640f307-2
0.267
TAM-UNI-c140e31a-12
0.264
HEI-REL-0c990a45-6
0.264
IFT-SAT-023cfffe-4
0.264
TAM-UNI-c140e31a-17
0.264
STE-NAN-bafe64f0-1
0.262
ALI-DIA-59c2fdb0-6
0.260
RAF-SAT-b3ff87a1-2
0.260
MAK-UNK-0b1cbb06-1
0.259
ALI-DIA-59c2fdb0-9
0.256
MAK-UNK-9a6be56d-18
0.254
TAM-UNI-c140e31a-14
0.252
IFT-SAT-023cfffe-1
0.252
HAR-NEW-e34cb1ae-3
0.252
MAK-UNK-9a6be56d-24
0.252
MAK-UNK-9a6be56d-12
0.252
MAK-UNK-9a6be56d-22
0.248
MAK-UNK-9a6be56d-23
0.248
MAK-UNK-9a6be56d-15
0.247
MAK-UNK-9a6be56d-16
0.247
SCO-CSI-e30c12ee-1
0.246
MAK-UNK-9a6be56d-10
0.243
IND-SYN-8f867502-2
0.243
MAK-UNK-9a6be56d-9
0.241
HEI-REL-0c990a45-2
0.241
MAK-UNK-9a6be56d-17
0.241
MAK-UNK-9a6be56d-11
0.240
STU-CHA-83dacf15-1
0.240
BEN-DND-6de5dfa0-13
0.240
BEN-DND-93268d01-12
0.240
HEI-REL-0c990a45-3
0.239
PET-SGC-2aaf6909-1
0.238
MAK-UNK-9a6be56d-31
0.238
TAM-UNI-c140e31a-1
0.238
MAK-UNK-9a6be56d-14
0.238