Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(S(=O)(=O)Nc3ccc4c(c3)C(=O)NC4)cc(F)cc12 |
MW: | 430.461 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 120.16 |
cLogP: | 2.0298 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
AAR-POS-d2a4d1df-2
GAB-REV-4a4e2ff3-4
0.622
NAU-LAT-81109c57-3
0.437
MAK-UNK-be5ffcbc-9
0.435
TAM-UNI-c140e31a-15
0.433
PET-SGC-f818f65b-1
0.433
SAM-UNK-903735bd-2
0.433
SIM-DEM-265738e1-1
0.433
ELE-IMP-dfb36048-1
0.433
WIL-LEE-1f71e281-6
0.423
GAB-REV-4a4e2ff3-14
0.402
TAM-UNI-c140e31a-2
0.396
MAK-UNK-be5ffcbc-6
0.392
GAB-REV-4a4e2ff3-3
0.391
MAK-UNK-be5ffcbc-2
0.388
NAU-LAT-81109c57-5
0.387
MAK-UNK-be5ffcbc-4
0.385
GAB-REV-4a4e2ff3-8
0.383
GAB-REV-4a4e2ff3-11
0.383
SAM-UNK-903735bd-1
0.381
LON-WEI-af038623-6
0.381
STU-CHA-bc0a9883-1
0.380
JOK-SYG-302da050-1
0.380
DAR-DIA-fb20be43-11
0.380
NAU-LAT-81109c57-6
0.380
NAU-LAT-f723e322-1
0.380
GAB-REV-4a4e2ff3-15
0.378
GAB-REV-4a4e2ff3-6
0.377
GAB-REV-4a4e2ff3-13
0.375
GAB-REV-4a4e2ff3-21
0.374
NIR-THE-0d6461ce-2
0.373
GAB-REV-4a4e2ff3-5
0.372
ASH-UNK-40b46b30-7
0.369
NIR-THE-0d6461ce-3
0.369
JOK-SYG-b7365cd7-1
0.369
TAM-UNI-c140e31a-3
0.368
ASH-UNK-40b46b30-5
0.368
WAR-XCH-e55cba98-2
0.368
MAK-UNK-ec98eaf6-33
0.366
NAU-LAT-81109c57-7
0.365
NAU-LAT-f723e322-2
0.364
GAB-REV-4a4e2ff3-1
0.362
PET-SGC-1c3a473d-1
0.360
WAR-XCH-e55cba98-3
0.359
MAK-UNK-10572812-12
0.358
GAB-REV-4a4e2ff3-16
0.356
GAB-REV-4a4e2ff3-12
0.355
MAK-UNK-be5ffcbc-5
0.355
AAR-POS-d2a4d1df-2
0.354
TAM-UNI-c140e31a-22
0.353
HAN-NEW-5f56c3bc-2
0.353
GAB-REV-4a4e2ff3-19
0.351
DAR-DIA-caba39e3-6
0.350
ROB-UNI-b2e39629-4
0.350
BEN-DND-362d364a-8
0.350
GAB-REV-4a4e2ff3-2
0.347
GAB-REV-4a4e2ff3-18
0.345
ELE-IMP-dfb36048-2
0.343
CAL-AMP-9edebd8f-1
0.343
DUN-NEW-f8ce3686-10
0.343
MAK-UNK-ec98eaf6-34
0.342
GAB-REV-4a4e2ff3-7
0.342
PAT-UNK-b2d83456-5
0.336
JOH-MSK-d60b0211-1
0.336
WAR-XCH-e55cba98-5
0.336
GAB-REV-4a4e2ff3-20
0.333
GAB-REV-4a4e2ff3-17
0.328
SAN-PRS-3c4a6997-1
0.327
GAB-REV-4a4e2ff3-9
0.325
PAT-UNK-b2d83456-4
0.324
ROB-UNI-b2e39629-6
0.320
DAR-DIA-fb20be43-15
0.319
DAR-DIA-fb20be43-14
0.310
JOK-SYG-b9f02a42-1
0.310
NIR-THE-c331be7a-3
0.310
DUN-NEW-f8ce3686-24
0.307
MAR-UCB-195bc32d-21
0.307
JOH-MSK-35a8745a-1
0.307
ALE-ACE-2610ee4d-1
0.307
DUN-NEW-f8ce3686-11
0.306
JOK-SYG-b9f02a42-2
0.305
DUN-NEW-f8ce3686-21
0.305
JOH-MSK-a63bdd1d-5
0.305
MAR-UCB-195bc32d-16
0.303
JOH-MSK-a63bdd1d-4
0.303
JOK-SYG-b9f02a42-3
0.303
MAK-UNK-10799360-31
0.299
ROB-UNI-b2e39629-7
0.299
SAN-PRS-3c4a6997-2
0.299
JAR-IMP-ed466bb3-19
0.297
DAR-DIA-caba39e3-5
0.296
JAN-GHE-6413aaf8-5
0.296
MAR-TRE-c317dd82-56
0.295
NAU-LAT-0543f7f2-3
0.292
NAU-LAT-30527ac5-5
0.292
JOH-MEM-4bb7e4cc-1
0.291
DUN-NEW-f8ce3686-12
0.291
MAT-GIT-deadff56-1
0.291
NAU-LAT-30527ac5-6
0.290
TAM-UNI-c140e31a-16
0.289
ORN-MSD-5b974918-1
0.288