Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(CN3CCC(O)CC3)cccc12 |
MW: | 315.417 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 68.36 |
cLogP: | 1.8032 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
PAT-UNK-b2d83456-4
0.750
JAN-GHE-6413aaf8-5
0.692
DUN-NEW-f8ce3686-24
0.692
SAM-UNK-903735bd-1
0.620
DUN-NEW-f8ce3686-21
0.600
MAK-UNK-ec98eaf6-47
0.551
ELE-IMP-dfb36048-2
0.538
CAL-AMP-9edebd8f-1
0.538
DUN-NEW-f8ce3686-10
0.538
JAN-GHE-6413aaf8-8
0.516
JAN-GHE-6413aaf8-6
0.516
JAN-GHE-6413aaf8-7
0.511
JAN-GHE-6413aaf8-1
0.505
TAM-UNI-c140e31a-16
0.477
MAK-UNK-be5ffcbc-2
0.465
HAN-NEW-5f56c3bc-4
0.465
JAN-GHE-6413aaf8-4
0.460
JAN-GHE-6413aaf8-3
0.459
PAT-UNK-b2d83456-5
0.444
JOH-MSK-d60b0211-1
0.444
MAK-UNK-be5ffcbc-4
0.443
JAN-GHE-6413aaf8-9
0.420
STU-CHA-bc0a9883-1
0.419
JOK-SYG-302da050-1
0.419
DAR-DIA-fb20be43-11
0.419
DAR-DIA-fb20be43-15
0.419
NAU-LAT-f723e322-1
0.419
MED-COV-4280ac29-21
0.418
NAU-LAT-f723e322-2
0.415
NIR-THE-0d6461ce-2
0.411
PAU-WEI-b9b69149-7
0.408
JOK-SYG-b9f02a42-1
0.406
DAR-DIA-fb20be43-14
0.406
PAU-WEI-b9b69149-8
0.400
JAN-GHE-6413aaf8-2
0.398
PAU-WEI-f734c343-1
0.398
JOK-SYG-b9f02a42-2
0.398
ELE-IMP-dfb36048-5
0.397
SAN-PRS-3c4a6997-2
0.397
JOK-SYG-b9f02a42-3
0.394
MAK-UNK-ec98eaf6-8
0.387
PET-SGC-f818f65b-1
0.386
SAM-UNK-903735bd-2
0.386
SIM-DEM-265738e1-1
0.386
ELE-IMP-dfb36048-1
0.386
TAM-UNI-c140e31a-15
0.386
MAK-UNK-be5ffcbc-9
0.386
CES-WAB-18e74d70-2
0.386
PAU-WEI-b9b69149-9
0.385
MAK-UNK-ec98eaf6-54
0.382
SAM-UNK-83e03154-1
0.379
MAK-UNK-ec98eaf6-55
0.378
JOK-SYG-b7365cd7-1
0.378
MAK-UNK-be5ffcbc-5
0.375
HAN-NEW-5f56c3bc-2
0.375
WIL-LEE-1f71e281-6
0.375
MAK-UNK-be5ffcbc-6
0.374
ROB-UNI-b2e39629-4
0.371
BEN-DND-362d364a-8
0.371
ROB-UNI-b2e39629-6
0.368
NIR-THE-0d6461ce-3
0.364
MAK-UNK-ec98eaf6-56
0.362
MAK-UNK-ec98eaf6-33
0.360
GAB-REV-4a4e2ff3-15
0.360
ROB-UNI-b2e39629-7
0.356
MAK-UNK-ec98eaf6-41
0.355
TAM-UNI-d1c3dd9f-20
0.354
GAB-REV-4a4e2ff3-8
0.351
TAM-UNI-c140e31a-2
0.351
ASH-UNK-40b46b30-7
0.350
GAB-REV-4a4e2ff3-18
0.350
ASH-UNK-40b46b30-5
0.347
NAU-LAT-81109c57-6
0.347
GAB-REV-4a4e2ff3-3
0.347
NAU-LAT-81109c57-7
0.346
AAR-POS-d2a4d1df-2
0.345
SCO-VAN-260d9628-6
0.344
GAB-REV-4a4e2ff3-1
0.343
GAB-REV-4a4e2ff3-14
0.340
NAU-LAT-81109c57-5
0.340
NAU-LAT-81109c57-3
0.337
NAU-LAT-30527ac5-6
0.336
MAR-UCB-195bc32d-16
0.333
JOH-MSK-a63bdd1d-4
0.333
TAM-UNI-c140e31a-22
0.333
JOH-MSK-2d8052dc-1
0.333
NIR-THE-c331be7a-3
0.333
SHR-UNK-cde60afe-1
0.330
DAR-DIA-caba39e3-6
0.330
GAB-REV-4a4e2ff3-13
0.330
MAR-TRE-4f781e27-23
0.330
SAN-PRS-3c4a6997-1
0.329
MAK-UNK-10572812-12
0.327
GAB-REV-4a4e2ff3-4
0.327
GAB-REV-4a4e2ff3-5
0.327
PET-SGC-1c3a473d-1
0.327
GAB-REV-4a4e2ff3-21
0.327
GAB-REV-4a4e2ff3-16
0.324
WIL-LEE-23e8b574-3
0.322
MAR-UCB-195bc32d-21
0.322