Molecular Properties | |
SMILES: | CC(NC(=O)C1CCN(C(=O)CCl)CC1n1os1)(C(=O)O)c1ccccc1 |
MW: | 413.08 |
Fraction sp3: | 0.47 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 104.78 |
cLogP: | 1.89 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
YOI-UNK-12211982-4
1.000
SAD-SAT-29425be4-23
0.448
PAU-WEI-c6d65c11-1
0.366
YOI-UNK-15f562e8-3
0.346
DUN-NEW-f8ce3686-22
0.337
SIM-SYN-7db9eb24-1
0.337
THO-SYG-f9b2970d-6
0.333
SAD-SAT-29425be4-4
0.324
DAN-LON-a5fc619e-7
0.323
SAD-SAT-29425be4-20
0.323
SAD-SAT-c989feaa-4
0.322
LON-WEI-120e5cf5-15
0.321
MAR-TRE-6a44bbf2-86
0.321
AAR-POS-0daf6b7e-5
0.310
SAD-SAT-29425be4-14
0.304
LON-WEI-120e5cf5-5
0.302
SAD-SAT-c989feaa-8
0.299
DAN-MCD-b3a5626f-1
0.298
DAN-MCD-9b81d1fa-1
0.298
DAN-MCD-a37c31cb-1
0.297
DAN-MCD-e5161b06-1
0.297
DAN-MCD-68a9aade-1
0.297
DAN-MCD-f396e45b-1
0.295
YOI-UNK-15f562e8-1
0.295
THO-SYG-f9b2970d-8
0.295
DAN-MCD-9cdc9f7f-1
0.295
SAD-SAT-29425be4-26
0.295
DAN-MCD-5390ac8b-1
0.295
DAN-MCD-1a622181-1
0.292
DAN-MCD-9950a804-1
0.292
LON-WEI-120e5cf5-19
0.290
MAR-TRE-6a44bbf2-9
0.289
LON-WEI-120e5cf5-16
0.289
MED-COV-4280ac29-38
0.287
MAK-UNK-6ca90168-11
0.286
DAN-MCD-1c3944e2-1
0.286
DAN-MCD-cb24a79d-1
0.286
SAD-SAT-29425be4-25
0.286
YOI-UNK-12211982-5
0.286
YOI-UNK-a533afbc-5
0.286
LON-WEI-120e5cf5-11
0.286
JOH-UNI-27ac80fd-28
0.286
SAD-SAT-29425be4-9
0.284
SAD-SAT-29425be4-29
0.284
SAD-SAT-29425be4-16
0.284
AAR-POS-d2a4d1df-30
0.284
TAT-ENA-80bfd3e5-13
0.284
YOI-UNK-12211982-6
0.284
YOI-UNK-a533afbc-6
0.284
TAT-ENA-80bfd3e5-10
0.284
MAK-UNK-af83ef51-2
0.284
DUN-NEW-f8ce3686-25
0.281
SAD-SAT-c989feaa-3
0.281
MAR-TRE-6a44bbf2-15
0.281
AAR-POS-0daf6b7e-6
0.281
MAK-UNK-a7992eb3-2
0.281
DAN-MCD-34fd4f29-1
0.280
LON-WEI-120e5cf5-13
0.280
SAD-SAT-29425be4-6
0.278
LON-WEI-120e5cf5-12
0.278
LON-WEI-120e5cf5-21
0.277
JOH-UNI-0e1753c1-5
0.276
DAN-LON-a5fc619e-3
0.276
STE-KUL-2e0d2e88-4
0.276
MAK-UNK-c97f7c8f-1
0.275
MAK-UNK-3d7e3904-3
0.274
GIA-UNK-7337c2f3-14
0.273
SAL-INS-1c7a5a55-11
0.273
MAK-UNK-987948f6-15
0.273
LON-WEI-120e5cf5-14
0.273
STU-CHA-0be58c98-1
0.273
SAD-SAT-c989feaa-2
0.272
MAK-UNK-5d2caa6f-20
0.272
MAK-UNK-7c9d1431-24
0.272
DRR-IMP-38dce17f-3
0.272
DAN-MCD-0fb4364c-1
0.271
DRA-CSI-47e38074-12
0.271
THO-SYG-f9b2970d-2
0.270
DAV-CRI-7ebcceed-1
0.270
SAD-SAT-c989feaa-1
0.270
BEN-DND-76ad4ac9-4
0.270
LON-WEI-120e5cf5-9
0.269
MAK-UNK-750cfbcc-2
0.269
DAN-LON-a5fc619e-1
0.269
MAK-UNK-7c9d1431-25
0.269
MAR-TRE-6a44bbf2-53
0.269
AHN-SAT-de2502ba-1
0.269
DAN-MCD-3ec20f87-1
0.267
LON-WEI-120e5cf5-10
0.267
SAD-SAT-29425be4-1
0.267
STE-KUL-2e0d2e88-6
0.267
NIM-UNI-43fe0159-7
0.267
MAK-UNK-af83ef51-6
0.267
GIA-UNK-20b63697-2
0.266
GIA-UNK-20b63697-5
0.266
GIA-UNK-20b63697-9
0.265
MAK-UNK-8fdbca50-37
0.265
MAR-TRE-6a44bbf2-61
0.265
AAR-POS-d2a4d1df-29
0.265
SAD-SAT-f2e2579e-6
0.265