Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cc(Cl)cc12 |
MW: | 357.863 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 91.06 |
cLogP: | 1.5916 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
BEN-DND-362d364a-8
1.000
ROB-UNI-b2e39629-2
0.810
HAN-NEW-5f56c3bc-2
0.691
TAM-UNI-c140e31a-15
0.681
SAM-UNK-903735bd-2
0.681
SIM-DEM-265738e1-1
0.681
ELE-IMP-dfb36048-1
0.681
PET-SGC-f818f65b-1
0.681
CAL-AMP-9edebd8f-1
0.606
DUN-NEW-f8ce3686-10
0.606
ELE-IMP-dfb36048-2
0.606
ROB-UNI-b2e39629-6
0.527
DAR-DIA-fb20be43-15
0.518
ROB-UNI-b2e39629-9
0.500
NAU-LAT-0543f7f2-4
0.494
NAU-LAT-0543f7f2-3
0.483
NAU-LAT-30527ac5-5
0.483
NAU-LAT-30527ac5-6
0.457
NAU-LAT-30527ac5-4
0.453
ELE-IMP-dfb36048-5
0.451
SAN-PRS-3c4a6997-1
0.446
DUN-NEW-f8ce3686-21
0.443
WIL-LEE-1f71e281-6
0.438
SHR-UNK-cde60afe-1
0.433
SAM-UNK-83e03154-2
0.419
MAK-UNK-be5ffcbc-9
0.416
ROB-UNI-b2e39629-7
0.415
BEN-DND-362d364a-9
0.410
GAB-REV-4a4e2ff3-19
0.409
MAK-UNK-be5ffcbc-2
0.395
JOH-MSK-d60b0211-1
0.393
PAT-UNK-b2d83456-5
0.393
NIR-THE-0d6461ce-2
0.391
BEN-DND-362d364a-7
0.391
MAK-UNK-be5ffcbc-4
0.391
JOK-SYG-b7365cd7-1
0.388
ASH-UNK-40b46b30-5
0.386
SAM-UNK-903735bd-1
0.386
DAR-DIA-fb20be43-11
0.385
JOH-CHE-3504ac3d-2
0.385
STU-CHA-bc0a9883-1
0.385
NAU-LAT-f723e322-1
0.385
JOK-SYG-302da050-1
0.385
MAK-UNK-ec98eaf6-33
0.383
PAT-UNK-b2d83456-4
0.379
MAK-UNK-10799360-31
0.379
DAR-DIA-caba39e3-5
0.376
ROB-UNI-b2e39629-10
0.375
GAB-REV-4a4e2ff3-8
0.374
TAM-UNI-c140e31a-2
0.374
NAU-LAT-81109c57-3
0.374
JOH-MSK-a63bdd1d-5
0.373
SAN-PRS-3c4a6997-2
0.373
DAR-DIA-fb20be43-14
0.372
JOK-SYG-b9f02a42-1
0.372
DUN-NEW-f8ce3686-11
0.371
DUN-NEW-f8ce3686-24
0.370
GAB-REV-4a4e2ff3-15
0.368
MAK-UNK-be5ffcbc-6
0.368
JAN-GHE-6413aaf8-7
0.366
NAU-LAT-f723e322-2
0.366
WIL-LEE-364b6ea8-13
0.365
JOH-MSK-a63bdd1d-2
0.365
JOK-SYG-b9f02a42-2
0.365
GAB-REV-4a4e2ff3-14
0.364
NAU-LAT-81109c57-5
0.363
JOK-SYG-b9f02a42-3
0.361
MAK-UNK-ec98eaf6-47
0.361
JOH-MSK-a63bdd1d-4
0.359
MAR-UCB-195bc32d-16
0.359
MAT-GIT-deadff56-1
0.358
JOH-MEM-4bb7e4cc-1
0.358
DUN-NEW-f8ce3686-12
0.358
LON-WEI-af038623-6
0.356
ROB-UNI-b2e39629-5
0.356
NAU-LAT-81109c57-6
0.355
JAN-GHE-6413aaf8-5
0.355
AAR-POS-d2a4d1df-2
0.354
GAB-REV-4a4e2ff3-3
0.354
MAR-TRE-be9ff7d2-39
0.352
GAB-REV-4a4e2ff3-6
0.352
GAB-REV-4a4e2ff3-10
0.350
SAM-UNI-7fd13e32-1
0.348
GAB-REV-4a4e2ff3-21
0.348
PET-SGC-1c3a473d-1
0.347
MAR-UCB-195bc32d-21
0.346
JOH-MSK-35a8745a-1
0.346
MAR-UNI-9ca61fdc-1
0.346
ALE-ACE-2610ee4d-1
0.346
NIR-THE-0d6461ce-3
0.344
JOH-MSK-a63bdd1d-1
0.341
MAK-UNK-be5ffcbc-5
0.340
NAU-LAT-81109c57-7
0.340
GAB-REV-4a4e2ff3-1
0.337
HAN-NEW-5f56c3bc-4
0.337
TAM-UNI-c140e31a-16
0.333
FRA-DIA-8640f307-3
0.333
GAB-REV-4a4e2ff3-4
0.333
GAB-REV-4a4e2ff3-12
0.330
GAB-REV-4a4e2ff3-20
0.330