Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(C(CCc3ccc(C(F)(F)F)cc3)N3CC4CC3CN4C(=O)CCl)cccc12 |
MW: | 560.22 |
Fraction sp3: | 0.45 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 68.44 |
cLogP: | 5.06 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
high halogen content (>3)
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-55
0.830
MAK-UNK-ec98eaf6-54
0.802
PAU-WEI-b9b69149-9
0.661
MAK-UNK-ec98eaf6-8
0.580
PAU-WEI-b9b69149-8
0.539
PAU-WEI-b9b69149-7
0.509
MAK-UNK-ec98eaf6-47
0.487
MAK-UNK-ec98eaf6-52
0.479
MED-COV-4280ac29-21
0.408
MAK-UNK-ec98eaf6-50
0.393
PAU-WEI-f734c343-1
0.392
DUN-NEW-f8ce3686-21
0.389
DUN-NEW-f8ce3686-24
0.385
HAN-NEW-5f56c3bc-4
0.378
MAK-UNK-ec98eaf6-53
0.374
MAK-UNK-ec98eaf6-34
0.371
PAT-UNK-b2d83456-4
0.368
MAK-UNK-ec98eaf6-41
0.366
MAK-UNK-ec98eaf6-49
0.364
DUN-NEW-f8ce3686-11
0.362
JAN-GHE-6413aaf8-5
0.361
MAK-UNK-ec98eaf6-33
0.361
MAK-UNK-df1a028e-4
0.355
MAK-UNK-ec98eaf6-51
0.347
TAM-UNI-c140e31a-16
0.345
MAK-UNK-90d0606b-3
0.342
DUN-NEW-f8ce3686-10
0.339
CAL-AMP-9edebd8f-1
0.339
ELE-IMP-dfb36048-2
0.339
MAK-UNK-3e0761f8-4
0.336
NIR-THE-0d6461ce-2
0.333
NIR-THE-c331be7a-3
0.328
MAK-UNK-10799360-31
0.328
AHN-SAT-721e3e40-1
0.328
MAK-UNK-df1a028e-9
0.327
DAR-DIA-caba39e3-6
0.326
JOK-SYG-b9f02a42-2
0.325
PAU-WEI-b9b69149-2
0.322
MAK-UNK-5d2caa6f-3
0.321
MAK-UNK-10799360-36
0.321
NIR-THE-0d6461ce-3
0.320
JOK-SYG-b9f02a42-1
0.320
GAB-REV-4a4e2ff3-8
0.320
NAU-LAT-f723e322-1
0.317
JOK-SYG-302da050-1
0.317
STU-CHA-bc0a9883-1
0.317
DAR-DIA-fb20be43-11
0.317
MAK-UNK-ec98eaf6-1
0.317
JOK-SYG-b7365cd7-1
0.316
DAR-DIA-caba39e3-5
0.316
DAR-DIA-3e9bbd81-3
0.314
MAK-UNK-ec98eaf6-9
0.314
JOK-SYG-b9f02a42-3
0.312
MAK-UNK-ec98eaf6-13
0.310
DAR-DIA-caba39e3-4
0.309
TAM-UNI-c140e31a-22
0.308
PAU-WEI-b9b69149-5
0.307
ROB-UNI-b2e39629-6
0.307
MAK-UNK-be5ffcbc-5
0.306
NAU-LAT-81109c57-6
0.306
MAK-UNK-ec98eaf6-6
0.303
ROB-UNI-b2e39629-7
0.299
NAU-LAT-81109c57-3
0.298
MAK-UNK-ec98eaf6-15
0.296
DAR-DIA-fb20be43-15
0.296
GAB-REV-4a4e2ff3-1
0.295
SAM-UNK-903735bd-1
0.295
MAK-UNK-3e0761f8-9
0.292
MAK-UNK-be5ffcbc-6
0.292
DAR-DIA-3e9bbd81-5
0.291
GAB-REV-4a4e2ff3-20
0.291
GAB-REV-4a4e2ff3-21
0.290
DAR-DIA-3e9bbd81-7
0.290
GAB-REV-4a4e2ff3-14
0.289
ASH-UNK-40b46b30-7
0.289
DAR-DIA-fb20be43-14
0.289
MAK-UNK-5d2caa6f-4
0.288
SAN-PRS-3c4a6997-2
0.287
MAK-UNK-be5ffcbc-4
0.287
GAB-REV-4a4e2ff3-13
0.285
ASH-UNK-40b46b30-5
0.285
LON-WEI-af038623-6
0.285
WAR-XCH-e55cba98-3
0.284
MAK-UNK-5d2caa6f-5
0.283
MAK-UNK-be5ffcbc-9
0.283
GAB-REV-4a4e2ff3-6
0.282
NAU-LAT-30527ac5-6
0.281
MAK-UNK-10799360-35
0.281
MAK-UNK-3f402c2b-3
0.281
TAM-UNI-c140e31a-3
0.280
JOH-MSK-d60b0211-1
0.280
PAT-UNK-b2d83456-5
0.280
NAU-LAT-81109c57-5
0.280
JAN-GHE-6413aaf8-2
0.279
MAK-UNK-10799360-26
0.279
JAN-GHE-6413aaf8-6
0.279
JOH-MSK-2d8052dc-1
0.279
MAK-UNK-be5ffcbc-2
0.279
NAU-LAT-81109c57-7
0.278
MAK-UNK-5d2caa6f-24
0.278