Molecular Properties | |
SMILES: | O=C(CN(Cc1cccnc1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCOCC1 |
MW: | 501.609 |
Fraction sp3: | 0.46 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 112.15 |
cLogP: | 1.3053 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
Hetero_hetero
GIA-UNK-eaadd1d4-3
0.424
SIM-SYN-a98e6a07-1
0.394
MAR-TRE-fd17a9b8-62
0.392
MIC-SGC-657978c3-2
0.388
NAU-LAT-445f63e5-7
0.370
MIC-SGC-657978c3-1
0.370
MAK-UNK-009ebe36-3
0.358
SAD-SAT-135344c3-4
0.358
SIM-SYN-3099a863-3
0.355
SAD-SAT-135344c3-5
0.355
SCO-CSI-e56d7cb6-1
0.347
MAR-TRE-6a44bbf2-21
0.337
MAK-UNK-7c9d1431-9
0.337
MAR-TRE-3e4e6814-34
0.337
KEI-TRE-d5e2018a-32
0.337
SIM-SYN-3099a863-1
0.333
GIA-UNK-595fac82-4
0.333
KEI-TRE-d5e2018a-38
0.330
MAR-TRE-04c86cea-46
0.327
MIC-SGC-657978c3-4
0.324
GIA-UNK-5ec6c2b8-4
0.322
PEI-IMP-ca0b2813-1
0.320
ALP-POS-c0c213c9-19
0.316
SAD-SAT-29425be4-27
0.312
BAR-COM-4e090d3a-55
0.311
MIC-SGC-657978c3-7
0.311
KEI-TRE-d5e2018a-10
0.309
KEI-TRE-d5e2018a-52
0.309
MAR-TRE-a9136c7b-64
0.308
NAU-LAT-445f63e5-6
0.308
KAY-MCD-59dc2eb3-1
0.306
GIA-UNK-3f36037a-6
0.306
MIC-SGC-657978c3-3
0.306
MAR-TRE-fd17a9b8-92
0.305
BAR-COM-4e090d3a-47
0.304
KEI-TRE-d5e2018a-61
0.304
DAR-DIA-03336633-10
0.302
KEI-TRE-d5e2018a-9
0.301
KEI-TRE-d5e2018a-22
0.300
PEI-IMP-3d837503-2
0.298
MIC-SGC-657978c3-8
0.297
ALP-POS-c0c213c9-10
0.297
PEI-IMP-3d837503-4
0.295
MAR-TRE-67513f76-51
0.295
MAR-TRE-6a44bbf2-9
0.294
SAD-SAT-135344c3-1
0.289
KEI-TRE-d5e2018a-13
0.289
PEI-IMP-3d837503-5
0.289
MAR-TRE-2fd8122f-55
0.288
HIR-FOR-a67ea703-1
0.288
SIM-SYN-a98e6a07-2
0.287
IFT-SAT-023cfffe-2
0.287
MAR-TRE-d0525fbf-90
0.286
FRA-DIA-3f9ae552-1
0.286
MAR-TRE-2fd8122f-15
0.286
MAK-UNK-69bf97dd-6
0.284
MAR-TRE-2fd8122f-33
0.283
HUB-UNK-9845d277-12
0.283
KEI-TRE-d5e2018a-53
0.282
HUB-UNK-9845d277-10
0.282
NAU-LAT-64f4b287-9
0.281
MAR-TRE-2fd8122f-94
0.281
DRA-CSI-3ab97369-7
0.280
MAR-TRE-85681e92-95
0.280
SAD-SAT-135344c3-2
0.279
MAR-TRE-8190bb11-7
0.278
KEI-TRE-d5e2018a-36
0.277
DRA-CSI-47e38074-11
0.276
KEI-TRE-d5e2018a-73
0.276
MAK-UNK-009ebe36-4
0.276
GIA-UNK-3f36037a-2
0.276
MAR-TRE-2fd8122f-35
0.275
MAR-TRE-2fd8122f-31
0.274
GIA-UNK-3f36037a-1
0.274
MAK-UNK-69bf97dd-5
0.274
AAR-POS-0daf6b7e-5
0.273
GIA-UNK-d2defdc3-6
0.272
SCO-CSI-071a6f1c-1
0.271
ALE-MCD-4ac17b19-1
0.270
JUL-TUD-06b2044f-90
0.270
MAK-UNK-8fdbca50-32
0.270
ZAC-MCD-b48cf8fd-1
0.269
DUN-NEW-d8381160-1
0.269
MAR-TRE-be9ff7d2-8
0.268
BEN-DND-031a96cc-1
0.267
SIM-SYN-a98e6a07-3
0.267
PEI-IMP-3d837503-1
0.267
MAK-UNK-8fdbca50-17
0.266
MAR-TRE-74c6519b-66
0.266
MAK-UNK-702fb7d3-17
0.266
PAT-GYR-de8eec61-3
0.265
JAG-UCB-cedd89ab-4
0.265
MAR-TRE-b77b7921-13
0.264
JOR-UNI-61e7b1d5-3
0.264
MAK-UNK-009ebe36-6
0.264
MAR-TRE-dab8f6ea-25
0.264
DUN-NEW-f8ce3686-25
0.264
DRA-CSI-3ab97369-1
0.264
MAR-TRE-799db12b-64
0.263
JOR-UNI-2fc98d0b-1
0.263