Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cc(F)cc12 |
MW: | 341.408 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 91.06 |
cLogP: | 1.0773 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
TAM-UNI-c140e31a-15
1.000
ELE-IMP-dfb36048-1
1.000
SIM-DEM-265738e1-1
1.000
PET-SGC-f818f65b-1
1.000
HAN-NEW-5f56c3bc-2
0.691
BEN-DND-362d364a-8
0.681
ROB-UNI-b2e39629-4
0.681
WIL-LEE-1f71e281-6
0.620
DUN-NEW-f8ce3686-10
0.583
ELE-IMP-dfb36048-2
0.583
CAL-AMP-9edebd8f-1
0.583
SAM-UNK-83e03154-2
0.564
MAK-UNK-be5ffcbc-2
0.558
MAK-UNK-be5ffcbc-4
0.551
SAM-UNK-903735bd-1
0.544
ASH-UNK-40b46b30-5
0.544
GAB-REV-4a4e2ff3-8
0.543
MAK-UNK-be5ffcbc-9
0.535
TAM-UNI-c140e31a-2
0.524
NIR-THE-0d6461ce-2
0.524
ROB-UNI-b2e39629-2
0.522
NAU-LAT-f723e322-1
0.518
DAR-DIA-fb20be43-11
0.518
JOK-SYG-302da050-1
0.518
STU-CHA-bc0a9883-1
0.518
NAU-LAT-f723e322-2
0.512
MAK-UNK-ec98eaf6-33
0.512
GAB-REV-4a4e2ff3-3
0.494
GAB-REV-4a4e2ff3-15
0.494
GAB-REV-4a4e2ff3-1
0.484
PET-SGC-1c3a473d-1
0.483
JOK-SYG-b7365cd7-1
0.475
NAU-LAT-81109c57-7
0.473
NAU-LAT-81109c57-3
0.471
MAK-UNK-be5ffcbc-6
0.469
GAB-REV-4a4e2ff3-14
0.463
GAB-REV-4a4e2ff3-4
0.462
LON-WEI-af038623-6
0.452
GAB-REV-4a4e2ff3-6
0.447
AAR-POS-d2a4d1df-2
0.446
GAB-REV-4a4e2ff3-21
0.442
NAU-LAT-81109c57-5
0.442
ORN-MSD-5b974918-1
0.433
GAB-REV-4a4e2ff3-10
0.433
MAK-UNK-be5ffcbc-5
0.432
NAU-LAT-81109c57-6
0.432
ELE-IMP-dfb36048-5
0.431
GAB-REV-4a4e2ff3-19
0.424
GAB-REV-4a4e2ff3-5
0.419
NIR-THE-0d6461ce-3
0.418
ASH-UNK-40b46b30-7
0.418
ROB-UNI-b2e39629-7
0.415
ROB-UNI-b2e39629-6
0.412
MAK-UNK-ec98eaf6-34
0.411
GAB-REV-4a4e2ff3-12
0.410
JOH-MSK-d60b0211-1
0.409
PAT-UNK-b2d83456-5
0.409
GAB-REV-4a4e2ff3-13
0.409
TAM-UNI-c140e31a-22
0.408
DUN-NEW-f8ce3686-21
0.407
SHR-UNK-cde60afe-1
0.404
GAB-REV-4a4e2ff3-9
0.402
GAB-REV-4a4e2ff3-11
0.402
GAB-REV-4a4e2ff3-18
0.400
TAM-UNI-c140e31a-3
0.400
WIL-LEE-364b6ea8-13
0.398
JOH-MSK-a63bdd1d-2
0.398
PAT-UNK-b2d83456-4
0.395
GAB-REV-4a4e2ff3-7
0.394
DAR-DIA-caba39e3-6
0.390
SAN-PRS-3c4a6997-1
0.390
GAB-REV-4a4e2ff3-2
0.388
WAR-XCH-e55cba98-3
0.388
DUN-NEW-f8ce3686-11
0.386
DAR-DIA-fb20be43-15
0.385
GAB-REV-4a4e2ff3-20
0.384
GAB-REV-4a4e2ff3-16
0.384
WAR-XCH-e55cba98-2
0.384
TAM-UNI-c140e31a-20
0.382
ROB-UNI-b2e39629-9
0.379
JOH-MSK-a63bdd1d-4
0.377
MAR-UCB-195bc32d-16
0.377
GAB-REV-4a4e2ff3-17
0.376
MAT-GIT-deadff56-1
0.375
JOH-MEM-4bb7e4cc-1
0.375
DUN-NEW-f8ce3686-12
0.375
ROB-UNI-b2e39629-10
0.375
JOH-MSK-a63bdd1d-5
0.373
SAN-PRS-3c4a6997-2
0.373
WAR-XCH-e55cba98-5
0.373
JOK-SYG-b9f02a42-1
0.372
DAR-DIA-fb20be43-14
0.372
DUN-NEW-f8ce3686-24
0.370
JAN-GHE-6413aaf8-5
0.370
SCO-VAN-260d9628-7
0.368
JAN-GHE-6413aaf8-7
0.366
JOK-SYG-b9f02a42-2
0.365
SCO-VAN-260d9628-8
0.364
SAM-UNI-7fd13e32-1
0.364
ALE-ACE-2610ee4d-1
0.362