Molecular Properties | |
SMILES: | CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)cc1 |
MW: | 363.13 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 82.86 |
cLogP: | 1.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9301914892 |
MolPort: | MolPort-002-208-242 |
Hetero_hetero
MAT-POS-b5746674-55
0.523
MAT-POS-b5746674-56
0.500
MAK-UNK-7c9d1431-28
0.429
MAT-POS-162a9720-12
0.403
MAR-TRE-6a44bbf2-89
0.403
ALE-MCD-4ac17b19-1
0.393
SAD-SAT-1f400d17-2
0.389
MAR-TRE-a9136c7b-64
0.381
SAD-SAT-135344c3-5
0.375
MAK-UNK-7c9d1431-13
0.360
MAR-TRE-6a44bbf2-78
0.360
SAD-SAT-2fd372d1-9
0.341
MAR-TRE-799db12b-93
0.330
AAR-POS-d2a4d1df-27
0.329
MAR-LAB-efb042c5-5
0.329
DRR-IMP-dff87f5e-7
0.329
PEI-IMP-3d837503-5
0.329
MAR-TRE-6a44bbf2-68
0.329
MAK-UNK-7c9d1431-22
0.321
PEI-IMP-3d837503-4
0.320
MAK-UNK-7c9d1431-9
0.320
MAR-TRE-6a44bbf2-21
0.320
MAK-UNK-7c9d1431-17
0.316
AAR-POS-d2a4d1df-44
0.316
DRR-IMP-dff87f5e-3
0.316
SIM-SYN-3099a863-2
0.315
BAP-BUY-55f8bcae-1
0.313
MAR-TRE-6a44bbf2-58
0.312
KAY-MCD-d0fe5261-1
0.312
DRR-IMP-dff87f5e-1
0.312
SAD-SAT-b55127ae-5
0.308
PEI-IMP-3d837503-2
0.307
MAK-UNK-6435e6c2-10
0.301
MAK-UNK-6435e6c2-11
0.301
MAK-UNK-4c6b313a-1
0.301
MAK-UNK-7c9d1431-6
0.300
DRR-IMP-dff87f5e-6
0.300
DRR-IMP-dff87f5e-9
0.300
MAK-UNK-c74072e5-8
0.300
MAR-TRE-9c797165-10
0.299
PEI-IMP-3d837503-1
0.298
MAR-TRE-6a44bbf2-32
0.296
ABB-MCD-f8003a30-1
0.296
MAR-TRE-a3327163-57
0.295
SAD-SAT-3a925b8b-2
0.295
MAR-TRE-3e4e6814-34
0.292
SAD-SAT-f2e2579e-5
0.292
KEI-TRE-d5e2018a-32
0.292
CLI-UNI-032f7715-4
0.292
MAR-TRE-fd17a9b8-56
0.289
MAT-POS-b5746674-57
0.288
SIM-SYN-3099a863-3
0.287
SAD-SAT-bc31ec01-9
0.286
SAD-SAT-9a6c5cf3-5
0.286
MAK-UNK-c74072e5-7
0.286
MAK-UNK-6435e6c2-5
0.286
PEI-IMP-ca0b2813-1
0.284
GIA-UNK-595fac82-4
0.284
MAK-UNK-7c9d1431-8
0.284
MAR-TRE-6a44bbf2-26
0.284
GIA-UNK-5ec6c2b8-4
0.284
MAR-TRE-fd17a9b8-62
0.283
SAD-SAT-135344c3-2
0.283
SAD-SAT-f2e2579e-10
0.283
JAR-KUA-41bd5a3d-19
0.282
ANT-OPE-7824651a-2
0.280
ALE-MCD-a1893bfb-1
0.280
SIM-SYN-a98e6a07-1
0.280
PEI-IMP-ca0b2813-2
0.278
MAT-POS-ee51dedd-2
0.278
MAR-TRE-a9136c7b-89
0.278
SAD-SAT-135344c3-4
0.277
GIA-UNK-eaadd1d4-3
0.274
SAD-SAT-9a6c5cf3-2
0.274
MAK-UNK-7264f48c-2
0.274
MAR-TRE-6a44bbf2-40
0.273
SCO-CSI-071a6f1c-1
0.273
NAU-LAT-f723e322-6
0.272
MAK-UNK-7264f48c-1
0.272
DAN-MCD-5c762fbe-1
0.272
SAD-SAT-9a6c5cf3-9
0.271
BEN-DND-03406596-8
0.271
MAR-TRE-6a44bbf2-65
0.271
MAK-UNK-7c9d1431-11
0.271
TAT-ENA-80bfd3e5-43
0.271
KEN-MCD-6084b33e-1
0.271
PEI-IMP-3d837503-3
0.270
MAR-LAB-ff9967db-22
0.267
MAK-UNK-10dfa458-18
0.266
MAK-UNK-7264f48c-3
0.265
MAK-UNK-7c9d1431-10
0.265
JAR-KUA-41bd5a3d-4
0.264
MAR-TRE-6a44bbf2-100
0.264
PEI-IMP-ca0b2813-3
0.264
AHN-SAT-de2502ba-4
0.264
AHN-SAT-de2502ba-9
0.264
SAD-SAT-2fd372d1-6
0.264
MAK-UNK-009ebe36-2
0.263
MAK-UNK-009ebe36-3
0.263
MAK-UNK-23561bf6-1
0.263