Molecular Properties | |
SMILES: | Cc1cc([C@@H]2CN(C(=O)CCl)CCO2)c(-c2c(F)ccc3c2C[C@@H](C(=O)[C@H]2C[C@@H]2O)N(C)C3)cc1F |
MW: | 518.988 |
Fraction sp3: | 0.48 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 70.08 |
cLogP: | 3.38532 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Ketones
Ketone
AAR-POS-d2a4d1df-33
BOG-INS-16021dc0-1
0.434
BOG-INS-da52c1c2-1
0.336
AAR-POS-d2a4d1df-33
0.333
MAR-TRE-6a44bbf2-39
0.333
BOG-INS-8ebd826b-1
0.325
BOG-INS-d6bb07dc-1
0.323
JOK-SYG-8934678c-1
0.303
BEN-VAN-77cef4f8-8
0.271
SAD-SAT-1f400d17-3
0.268
MAR-TRE-dab8f6ea-49
0.266
BEN-VAN-77cef4f8-11
0.259
IND-SYN-6c8299e8-12
0.256
MAR-TRE-dab8f6ea-15
0.254
BEN-VAN-77cef4f8-3
0.254
BEN-VAN-77cef4f8-7
0.252
BEN-VAN-77cef4f8-6
0.248
BEN-VAN-77cef4f8-10
0.241
CHR-MCD-2f2b3cc8-1
0.240
MIH-UNI-e573136b-6
0.236
BEN-VAN-77cef4f8-2
0.236
MAR-TRE-dab8f6ea-28
0.232
BEN-VAN-77cef4f8-9
0.230
DAR-DIA-caba39e3-13
0.230
DAN-LON-a5fc619e-7
0.230
BEN-VAN-77cef4f8-1
0.229
PAT-MCD-fb0933e5-1
0.228
TRY-UNI-9f475305-9
0.227
MAK-UNK-ec98eaf6-14
0.227
THO-SYG-4e0386bb-2
0.227
DAN-LON-a5fc619e-1
0.226
MAR-TRE-6a44bbf2-32
0.225
ABB-MCD-f8003a30-1
0.225
THO-SYG-4e0386bb-3
0.225
SAD-SAT-2ceae68f-10
0.223
BEN-VAN-77cef4f8-12
0.222
NIM-UNI-43fe0159-3
0.222
BEN-VAN-77cef4f8-5
0.221
SAD-SAT-bc31ec01-6
0.220
MAR-TRE-6a44bbf2-14
0.220
SAD-SAT-c989feaa-1
0.220
MED-COV-4280ac29-33
0.219
HYO-UNK-1819783d-1
0.219
MIH-UNI-e573136b-7
0.218
JOH-UNI-27ac80fd-28
0.217
SAD-SAT-c989feaa-3
0.217
THO-SYG-4e0386bb-1
0.217
NIM-UNI-310206f0-19
0.216
SAD-SAT-c989feaa-10
0.215
YOI-UNK-12211982-4
0.214
YOI-UNK-a533afbc-4
0.214
BEN-VAN-77cef4f8-4
0.214
DAN-LON-a5fc619e-3
0.213
JOH-UNI-0e1753c1-5
0.213
ASH-SAT-43770c7d-10
0.213
NIM-UNI-310206f0-34
0.212
ALE-SYG-bac15da4-2
0.212
MAK-UNK-3e0761f8-7
0.212
SAL-INS-1c7a5a55-11
0.211
DAN-LON-a5fc619e-9
0.211
DAN-LON-a5fc619e-6
0.211
STU-CHA-0be58c98-1
0.211
SAD-SAT-c989feaa-8
0.211
NIR-THE-c331be7a-3
0.211
SAL-INS-1c7a5a55-1
0.211
AAR-POS-0daf6b7e-14
0.211
SAD-SAT-f25ee457-1
0.211
IND-SYN-6c8299e8-1
0.210
MIH-UNI-e573136b-10
0.210
MED-COV-4280ac29-38
0.210
SIM-SYN-7db9eb24-1
0.210
THO-SYG-f9b2970d-2
0.210
MAK-UNK-bae89c02-1
0.210
SAD-SAT-581007d4-1
0.209
SAD-SAT-581007d4-2
0.209
NIR-THE-c331be7a-4
0.208
MIH-UNI-e573136b-9
0.208
DAR-DIA-caba39e3-1
0.208
DAR-DIA-bd041b9b-14
0.208
NIR-THE-c331be7a-6
0.208
NIM-UNI-310206f0-37
0.208
AAR-POS-0daf6b7e-38
0.207
NIM-UNI-310206f0-1
0.207
AVI-UNI-70b60925-2
0.206
JAG-UCB-c61058a9-10
0.206
UNK-CYC-68f84b31-63
0.206
MAK-UNK-849bee6c-18
0.206
NIM-UNI-310206f0-44
0.206
SAL-INS-1c7a5a55-2
0.206
ASH-SAT-43770c7d-4
0.205
SAD-SAT-1b030f84-6
0.205
SAD-SAT-c989feaa-5
0.205
ED_-GRI-5b13fbe2-74
0.205
DAR-DIA-caba39e3-7
0.205
DAR-DIA-caba39e3-8
0.205
WAR-XCH-e55cba98-7
0.205
HAR-NEW-e34cb1ae-5
0.205
JOK-SYG-6ec557d2-1
0.205
NIM-UNI-310206f0-46
0.205
LON-WEI-120e5cf5-8
0.205
NIM-UNI-05f93fcc-12
0.205