Molecular Properties | |
SMILES: | O=C(CCl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 |
MW: | 302.05 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 66.48 |
cLogP: | 1.65 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9154192343 |
MolPort: | MolPort-002-029-593 |
Hetero_hetero
SAD-SAT-1f400d17-2
0.611
AHN-SAT-de2502ba-6
0.567
MAR-TRE-6a44bbf2-43
0.567
AHN-SAT-de2502ba-19
0.525
AHN-SAT-de2502ba-5
0.524
MAR-TRE-6a44bbf2-90
0.491
AHN-SAT-de2502ba-18
0.484
AHN-SAT-de2502ba-17
0.484
AHN-SAT-de2502ba-10
0.477
MAT-POS-b5746674-55
0.458
CLI-UNI-032f7715-4
0.455
MAT-POS-b5746674-56
0.435
SAD-SAT-2fd372d1-6
0.418
MAR-TRE-6a44bbf2-19
0.417
AHN-SAT-de2502ba-4
0.406
MAR-TRE-6a44bbf2-100
0.406
MAR-TRE-fd17a9b8-74
0.403
SAD-SAT-135344c3-2
0.400
IND-SYN-6c8299e8-9
0.400
MAK-UNK-69bf97dd-9
0.395
MAK-UNK-7c9d1431-26
0.389
MAR-TRE-6a44bbf2-22
0.389
SAD-SAT-6b5a89f0-8
0.385
MAR-TRE-6a44bbf2-42
0.384
DRR-IMP-dff87f5e-3
0.381
AAR-POS-d2a4d1df-44
0.381
MAR-TRE-6a44bbf2-83
0.380
AHN-SAT-de2502ba-13
0.380
BEN-DND-03406596-8
0.377
DRR-IMP-dff87f5e-7
0.375
MAR-TRE-6a44bbf2-58
0.375
KAY-MCD-d0fe5261-1
0.375
MAR-LAB-efb042c5-5
0.375
AAR-POS-d2a4d1df-27
0.375
MAR-TRE-6a44bbf2-68
0.375
DRR-IMP-dff87f5e-1
0.375
MAR-TRE-a9136c7b-64
0.373
AHN-SAT-de2502ba-16
0.371
MAR-TRE-6a44bbf2-78
0.369
MAK-UNK-7c9d1431-13
0.369
ALE-MCD-4ac17b19-1
0.368
AHN-SAT-de2502ba-9
0.366
MAK-UNK-c74072e5-8
0.358
DRR-IMP-dff87f5e-6
0.358
DRR-IMP-dff87f5e-9
0.358
MAK-UNK-7c9d1431-17
0.358
MAK-UNK-7c9d1431-6
0.358
AHN-SAT-de2502ba-2
0.357
MAR-TRE-6a44bbf2-30
0.357
BAP-BUY-55f8bcae-1
0.352
AHN-SAT-de2502ba-11
0.351
SAD-SAT-9a6c5cf3-2
0.350
MAR-TRE-6a44bbf2-21
0.344
MAK-UNK-7c9d1431-9
0.344
MAK-UNK-7c9d1431-22
0.343
SAD-SAT-f2e2579e-5
0.342
MAK-UNK-1e8f9e3c-5
0.338
SAD-SAT-135344c3-5
0.333
SAD-SAT-9a6c5cf3-5
0.333
PEI-IMP-ca0b2813-2
0.333
ABB-MCD-f8003a30-1
0.333
MAR-TRE-6a44bbf2-32
0.333
SAD-SAT-9a6c5cf3-9
0.329
MAK-UNK-1e8f9e3c-6
0.329
SAD-SAT-f2e2579e-10
0.329
AAR-POS-0daf6b7e-11
0.329
LON-WEI-8f408cad-1
0.329
MAK-UNK-7a704a63-10
0.329
MAK-UNK-7c9d1431-5
0.324
MAR-TRE-6a44bbf2-31
0.324
SWA-SYN-d2e6fa14-10
0.324
IND-SYN-6c8299e8-8
0.324
SWA-SYN-6423ea73-9
0.324
SAD-SAT-6b5a89f0-10
0.321
MAR-TRE-6a44bbf2-26
0.319
MAR-TRE-6a44bbf2-12
0.319
MAK-UNK-7c9d1431-8
0.319
MAR-TRE-6a44bbf2-17
0.318
MAR-TRE-6a44bbf2-93
0.318
MAR-TRE-3e4e6814-80
0.315
MAK-UNK-7c9d1431-10
0.314
SAD-SAT-3a925b8b-2
0.313
SAD-SAT-2fd372d1-3
0.313
MAR-TRE-d0525fbf-45
0.312
MAR-TRE-6a44bbf2-47
0.310
JAY-UNK-11f5bdbd-1
0.309
MAR-TRE-6a44bbf2-74
0.308
MAR-TRE-6a44bbf2-10
0.308
MAK-UNK-7c9d1431-7
0.307
MAR-TRE-6a44bbf2-49
0.307
YOI-UNK-4c10088f-1
0.306
MAK-UNK-69bf97dd-1
0.306
MAR-TRE-04c86cea-17
0.305
SAD-SAT-135344c3-3
0.305
BEN-DND-76ad4ac9-6
0.304
GIA-UNK-5ec6c2b8-4
0.302
MAR-TRE-6a44bbf2-84
0.300
MAK-UNK-ca11b4f7-1
0.300
MAR-TRE-4b834d9a-63
0.298
MED-COV-4280ac29-5
0.298