Molecular Properties | |
SMILES: | C=CC(=O)N(CC)CC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 |
MW: | 430.17 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 90.89 |
cLogP: | 1.49 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-26600168 |
Enamine SCR: | Z3672059156 |
Enamine REAL: | Z3672059156 |
Mcule: | MCULE-2152188291 |
MolPort: | MolPort-046-821-929 |
Hetero_hetero
AAR-POS-d2a4d1df-2
SAD-SAT-2ceae68f-7
0.679
SAD-SAT-f2e2579e-1
0.550
AHN-SAT-b1e6fbb2-1
0.526
SAD-SAT-b55127ae-2
0.495
DRR-IMP-db50bf6e-4
0.383
SAD-SAT-1f400d17-5
0.363
ABI-SAT-ddc50085-1
0.354
BEN-DND-76ad4ac9-11
0.337
BEN-DND-03406596-9
0.337
SAD-SAT-2ceae68f-1
0.333
ABI-SAT-ddc50085-2
0.322
SAD-SAT-2ceae68f-5
0.318
PEI-IMP-ca0b2813-4
0.314
BEN-DND-76ad4ac9-12
0.313
BEN-DND-76ad4ac9-13
0.313
BEN-DND-03406596-5
0.313
BEN-DND-03406596-2
0.313
BEN-DND-76ad4ac9-14
0.310
BEN-DND-03406596-3
0.310
BEN-DND-03406596-6
0.301
BEN-DND-76ad4ac9-10
0.301
LON-WEI-af038623-9
0.301
UNK-UNK-2ede4078-40
0.301
MAK-UNK-7264f48c-2
0.291
BEN-DND-03406596-8
0.290
PEI-IMP-ca0b2813-1
0.289
MAR-TRE-3159af1a-43
0.287
PEI-IMP-668afc53-1
0.287
PEI-IMP-ca0b2813-2
0.284
MAK-UNK-7264f48c-3
0.283
MAK-UNK-7c9d1431-12
0.281
MAR-TRE-3159af1a-42
0.277
MAR-TRE-3159af1a-19
0.277
MAK-UNK-7264f48c-6
0.274
SAD-SAT-2fd372d1-10
0.274
MAR-TRE-3159af1a-81
0.274
NAU-LAT-c9bfe74c-3
0.274
SIM-SYN-a98e6a07-1
0.274
MAK-UNK-10dfa458-4
0.271
BEN-DND-03ad4429-7
0.271
MAR-TRE-3159af1a-35
0.270
PEI-IMP-3d837503-2
0.266
MAR-TRE-6a44bbf2-65
0.265
TAT-ENA-80bfd3e5-43
0.265
MAK-UNK-7c9d1431-11
0.265
KEN-MCD-6084b33e-1
0.265
NIM-UNI-310206f0-69
0.264
SAD-SAT-f2e2579e-8
0.263
MAK-UNK-c74072e5-4
0.263
MAK-UNK-7c9d1431-17
0.263
DRR-IMP-dff87f5e-5
0.263
AAR-POS-d2a4d1df-34
0.263
MAR-TRE-6a44bbf2-8
0.263
SAD-SAT-9a6c5cf3-4
0.262
JAN-GHE-bf40f168-2
0.260
JAN-GHE-4287bd1a-1
0.260
PEI-IMP-ca0b2813-3
0.260
JAG-SYN-9c2cd0bd-1
0.258
RHE-UNK-eb059eb9-1
0.257
AAR-POS-0daf6b7e-3
0.257
MAR-TRE-6a44bbf2-13
0.257
WAR-XCH-79d12f6e-6
0.257
MAK-UNK-7c9d1431-30
0.257
MAR-TRE-6a44bbf2-45
0.257
SAD-SAT-bc31ec01-10
0.257
SAD-SAT-9a6c5cf3-2
0.257
SAD-SAT-b55127ae-5
0.255
NIM-UNI-05f93fcc-6
0.255
BEN-DND-03ad4429-3
0.253
MAK-UNK-10dfa458-5
0.253
MAR-TRE-6a44bbf2-7
0.252
AAR-POS-d2a4d1df-37
0.252
MAR-TRE-3159af1a-36
0.252
JUL-TUD-06b2044f-45
0.252
KAY-MCD-59dc2eb3-1
0.252
MAR-TRE-3159af1a-32
0.250
MAR-TRE-3159af1a-65
0.250
BEN-DND-76ad4ac9-9
0.250
BEN-DND-03406596-1
0.250
MAK-UNK-7c9d1431-9
0.250
MAR-TRE-6a44bbf2-21
0.250
GAB-REV-70cc3ca5-8
0.250
DRR-IMP-dff87f5e-4
0.250
MAK-UNK-e05327b2-1
0.250
UNK-UNK-2ede4078-30
0.248
SAD-SAT-135344c3-3
0.248
IND-SYN-6c8299e8-7
0.248
UNK-UNK-2ede4078-32
0.248
TAT-ENA-80bfd3e5-25
0.248
IND-SYN-6c8299e8-2
0.248
MAK-UNK-7c9d1431-4
0.248
DRR-IMP-dff87f5e-8
0.248
MAK-UNK-e05327b2-2
0.247
MAR-TRE-3159af1a-45
0.246
SWA-SYN-d2e6fa14-4
0.246
SWA-SYN-6423ea73-4
0.246
JOO-PER-58e158bd-1
0.245
AAR-POS-d2a4d1df-36
0.245
MAR-TRE-6a44bbf2-52
0.245
LON-WEI-8f408cad-3
0.245