Molecular Properties | |
SMILES: | C=CC(=O)NCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 |
MW: | 446.13 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 143.02 |
cLogP: | 0.33 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-6725543 |
Enamine SCR: | Z816403992 |
Mcule: | MCULE-6480719438 |
MolPort: | MolPort-045-975-147 |
Hetero_hetero
AAR-POS-0daf6b7e-1
SAD-SAT-2ceae68f-3
0.562
SAD-SAT-f0a2747f-8
0.424
SAD-SAT-f0a2747f-2
0.420
SAD-SAT-2ceae68f-9
0.341
VIJ-CYC-1a381570-10
0.290
AHN-SAT-02ef6d10-8
0.284
TAT-ENA-80bfd3e5-2
0.283
JUA-UNI-bc099708-4
0.282
JOH-UNI-e19b918c-4
0.281
MAK-UNK-987948f6-3
0.276
DRR-IMP-db50bf6e-3
0.274
JUA-UNI-bc099708-2
0.274
AHN-SAT-02ef6d10-5
0.272
AHN-SAT-de2502ba-8
0.271
DRR-IMP-db50bf6e-1
0.271
AAR-POS-d2a4d1df-25
0.271
NIM-UNI-05f93fcc-1
0.270
YOI-UNK-090ea88a-1
0.267
SAD-SAT-2fd372d1-2
0.267
MAK-UNK-69bf97dd-9
0.262
PED-UNI-a9f4e7c0-1
0.262
MAK-UNK-10dfa458-18
0.261
SAD-SAT-2ceae68f-6
0.259
BEN-DND-03ad4429-7
0.258
AAR-POS-0daf6b7e-15
0.258
PEI-IMP-ca0b2813-2
0.258
JAG-SYN-9c2cd0bd-1
0.258
MAK-UNK-10dfa458-4
0.258
SAD-SAT-2fd372d1-4
0.256
MAR-TRE-6a44bbf2-78
0.256
MAK-UNK-7c9d1431-13
0.256
PEI-IMP-3d837503-2
0.253
MAK-UNK-10dfa458-5
0.253
BEN-DND-03ad4429-3
0.253
PAT-GYR-359dbb24-4
0.253
NIM-UNI-310206f0-69
0.253
SAD-SAT-135344c3-2
0.252
MAR-TRE-fd17a9b8-62
0.252
SAD-SAT-2ceae68f-1
0.250
SAD-SAT-3a925b8b-10
0.250
SAD-SAT-f0a2747f-5
0.247
MAK-UNK-987948f6-2
0.247
SAD-SAT-f2e2579e-3
0.245
NIM-UNI-05f93fcc-17
0.245
PAT-GYR-359dbb24-3
0.245
MAK-UNK-7c9d1431-5
0.245
MAR-TRE-6a44bbf2-31
0.245
SAD-SAT-581007d4-6
0.245
SWA-SYN-6423ea73-7
0.245
SWA-SYN-d2e6fa14-7
0.245
SAD-SAT-3a925b8b-2
0.244
AAR-POS-d2a4d1df-22
0.244
LON-WEI-8f408cad-3
0.244
MAR-TRE-6a44bbf2-52
0.244
JUA-UNI-a9dfaed1-3
0.244
MAT-POS-ee51dedd-2
0.244
DAV-IMP-59dd6621-24
0.243
NIM-UNI-05f93fcc-9
0.243
PAT-GYR-359dbb24-5
0.242
MAR-TRE-4f781e27-99
0.242
KAT-UNK-b2a0d5b1-1
0.242
SAD-SAT-b55127ae-5
0.242
SAD-SAT-3a925b8b-6
0.242
LON-WEI-8f408cad-2
0.242
MAK-UNK-d4768348-2
0.242
MAR-TRE-6a44bbf2-4
0.242
AAR-POS-d2a4d1df-32
0.242
TAT-ENA-80bfd3e5-11
0.240
PED-UNI-b79f0f51-1
0.240
SAD-SAT-29425be4-24
0.240
SAD-SAT-1f400d17-7
0.239
AHN-SAT-b1e6fbb2-1
0.239
NIM-UNI-05f93fcc-13
0.238
MAR-TRE-6a44bbf2-8
0.237
DRR-IMP-dff87f5e-5
0.237
PEI-IMP-ca0b2813-1
0.237
AAR-POS-d2a4d1df-34
0.237
PAT-GYR-359dbb24-1
0.237
AAR-POS-d2a4d1df-21
0.237
MAK-UNK-7c9d1431-6
0.237
MAR-TRE-6a44bbf2-21
0.236
DRR-IMP-dff87f5e-4
0.236
MAK-UNK-7c9d1431-9
0.236
NIM-UNI-310206f0-67
0.235
SAD-SAT-f2e2579e-5
0.235
SAD-SAT-65574d3f-2
0.235
BEN-DND-7e92b6ca-8
0.235
NIM-UNI-05f93fcc-5
0.235
NIM-UNI-05f93fcc-7
0.235
MAR-TRE-6a44bbf2-73
0.235
SAD-SAT-3a925b8b-7
0.234
JAN-GHE-4287bd1a-1
0.234
DRR-IMP-dff87f5e-8
0.234
MAK-UNK-7c9d1431-10
0.234
SAD-SAT-bc31ec01-4
0.234
NAU-LAT-f723e322-5
0.234
NIM-UNI-310206f0-70
0.234
SAD-SAT-1f400d17-2
0.233
DRR-IMP-dff87f5e-3
0.233
MED-COV-4280ac29-14
0.233