Molecular Properties | |
SMILES: | CC(=O)NC=Cc1c[nH]c2c(CN3CCC(O)CC3)cc(F)cc12 |
MW: | 331.391 |
Fraction sp3: | 0.39 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 68.36 |
cLogP: | 2.3705 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SAM-UNK-903735bd-1
0.560
SAM-UNK-83e03154-2
0.541
SAM-UNK-83e03154-3
0.459
SCO-VAN-260d9628-6
0.451
MAK-UNK-be5ffcbc-2
0.402
MAK-UNK-be5ffcbc-4
0.398
JOK-SYG-302da050-1
0.392
STU-CHA-bc0a9883-1
0.392
DAR-DIA-fb20be43-11
0.392
NAU-LAT-f723e322-1
0.392
BEN-VAN-d8fd1356-21
0.391
BEN-VAN-d8fd1356-24
0.382
DUN-NEW-f8ce3686-11
0.379
NAU-LAT-f723e322-2
0.374
BEN-VAN-d8fd1356-22
0.363
CES-WAB-18e74d70-2
0.341
JOK-SYG-302da050-2
0.333
NIR-THE-0d6461ce-2
0.317
MAK-UNK-acefcb18-25
0.303
DAR-DIA-fb20be43-15
0.298
JAN-UNI-2e92c4b1-3
0.293
PET-SGC-39d74636-2
0.293
PET-SGC-39d74636-1
0.292
CAM-STU-3ef21e73-1
0.292
BEN-VAN-d8fd1356-20
0.292
MAK-UNK-ec98eaf6-33
0.287
MAR-UNI-9d4da90d-5
0.284
MAK-UNK-be5ffcbc-6
0.280
JOH-MSK-d60b0211-1
0.279
PAT-UNK-b2d83456-5
0.279
WIL-LEE-1f71e281-6
0.278
NIR-THE-0d6461ce-3
0.278
DAR-DIA-fb20be43-14
0.278
JOK-SYG-b9f02a42-1
0.278
TAM-UNI-c140e31a-2
0.276
SAM-UNK-903735bd-2
0.276
PET-SGC-f818f65b-1
0.276
ELE-IMP-dfb36048-1
0.276
SIM-DEM-265738e1-1
0.276
TAM-UNI-c140e31a-15
0.276
MAR-UNI-9d4da90d-6
0.275
SAM-UNK-2684b532-8
0.275
MAK-UNK-be5ffcbc-5
0.274
NAU-LAT-81109c57-6
0.274
BEN-VAN-d8fd1356-25
0.273
JOK-SYG-b9f02a42-2
0.273
MAK-UNK-1cb0e944-13
0.273
JOK-SYG-b9f02a42-3
0.270
BEN-VAN-d8fd1356-23
0.270
JOK-SYG-b7365cd7-1
0.270
SAM-UNK-2684b532-9
0.269
MAK-UNK-be5ffcbc-9
0.269
SCO-VAN-260d9628-7
0.267
TRY-UNI-1fd04853-4
0.265
SCO-VAN-260d9628-8
0.265
GAB-REV-4a4e2ff3-3
0.264
MAK-UNK-1cb0e944-12
0.263
MAK-UNK-acefcb18-22
0.262
BEN-VAN-d8fd1356-27
0.262
SAD-SAT-f25ee457-4
0.262
TRY-UNI-9f475305-1
0.261
MAK-UNK-5e88aa6a-5
0.260
MAK-UNK-1cb0e944-3
0.260
ASH-UNK-40b46b30-5
0.260
MAK-UNK-5e88aa6a-8
0.258
MAK-UNK-1cb0e944-6
0.258
TAM-UNI-c140e31a-20
0.257
PAT-UNK-b2d83456-4
0.252
GAB-REV-4a4e2ff3-8
0.252
GAB-REV-4a4e2ff3-15
0.252
DUN-NEW-f8ce3686-24
0.250
MAK-UNK-5e88aa6a-7
0.250
JAN-GHE-6413aaf8-5
0.250
MAK-UNK-1cb0e944-4
0.250
PET-SGC-1c3a473d-1
0.248
AAR-POS-d2a4d1df-2
0.247
MAK-UNK-e4a48a85-17
0.246
GAB-REV-4a4e2ff3-18
0.246
MAK-UNK-31051d4e-3
0.245
MAK-UNK-176ca439-7
0.244
MAK-UNK-ec98eaf6-34
0.243
MAK-UNK-1cb0e944-5
0.242
MAK-UNK-5e88aa6a-10
0.242
GAB-REV-4a4e2ff3-4
0.239
MAK-UNK-e4a48a85-9
0.239
GAB-REV-4a4e2ff3-19
0.239
DAR-DIA-fb20be43-10
0.239
MAK-UNK-acefcb18-24
0.239
AAR-POS-d2a4d1df-7
0.238
MAK-UNK-176ca439-5
0.237
GAB-REV-4a4e2ff3-16
0.237
MAK-UNK-72b7ba6b-1
0.237
MAK-UNK-5e88aa6a-12
0.237
SEB-EST-28768d06-1
0.236
MAK-UNK-31051d4e-1
0.236
MAK-UNK-e4a48a85-3
0.236
LON-WEI-af038623-6
0.236
MAK-UNK-10dfa458-15
0.233
NAU-LAT-81109c57-7
0.233
ROB-UNI-b2e39629-6
0.232