Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(N3CCCC3C(N)=O)cccc12 |
MW: | 314.389 |
Fraction sp3: | 0.41 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 91.22 |
cLogP: | 1.3006 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DUN-NEW-f8ce3686-11
0.477
PAT-UNK-b2d83456-4
0.455
ELE-IMP-dfb36048-2
0.452
CAL-AMP-9edebd8f-1
0.452
DUN-NEW-f8ce3686-21
0.452
DUN-NEW-f8ce3686-10
0.452
JAN-GHE-6413aaf8-5
0.426
DUN-NEW-f8ce3686-24
0.426
SAN-PRS-3c4a6997-2
0.405
MAK-UNK-ec98eaf6-47
0.400
HAN-NEW-5f56c3bc-4
0.400
MED-COV-4280ac29-21
0.396
MAK-UNK-be5ffcbc-6
0.396
PAU-WEI-b9b69149-7
0.387
PAU-WEI-b9b69149-8
0.380
PAU-WEI-f734c343-1
0.377
SAM-UNK-903735bd-1
0.368
MAK-UNK-ec98eaf6-8
0.367
PAU-WEI-b9b69149-9
0.366
MAK-UNK-ec98eaf6-54
0.363
MAK-UNK-be5ffcbc-9
0.360
MAK-UNK-ec98eaf6-55
0.360
DUN-NEW-f8ce3686-3
0.356
JOH-CHE-3504ac3d-2
0.354
SAN-PRS-3c4a6997-1
0.353
MAK-UNK-ec98eaf6-41
0.348
MAK-UNK-be5ffcbc-2
0.347
NIR-THE-0d6461ce-2
0.347
MAK-UNK-10572812-12
0.345
MAK-UNK-ec98eaf6-56
0.345
TAM-UNI-d1c3dd9f-9
0.344
MAK-UNK-be5ffcbc-4
0.344
DUN-NEW-f8ce3686-2
0.344
NIR-THE-0d6461ce-3
0.343
MAR-UCB-195bc32d-16
0.341
JOH-MSK-a63bdd1d-4
0.341
NIR-THE-c331be7a-3
0.339
AAR-POS-d2a4d1df-2
0.337
WIL-LEE-1f71e281-6
0.337
HAN-NEW-5f56c3bc-2
0.337
MAR-TRE-4f781e27-23
0.337
BEN-DND-362d364a-8
0.333
TAM-UNI-c140e31a-15
0.333
NAU-LAT-81109c57-5
0.333
PAT-UNK-b2d83456-5
0.333
SIM-DEM-265738e1-1
0.333
PET-SGC-f818f65b-1
0.333
ELE-IMP-dfb36048-1
0.333
ROB-UNI-b2e39629-4
0.333
JOH-MSK-d60b0211-1
0.333
SAM-UNK-903735bd-2
0.333
DAR-DIA-fb20be43-14
0.330
JOK-SYG-b9f02a42-1
0.330
NAU-LAT-81109c57-3
0.330
ROB-UNI-b2e39629-6
0.330
JOH-MSK-35a8745a-1
0.330
MAR-UCB-195bc32d-21
0.330
ALE-ACE-2610ee4d-1
0.330
JOH-MSK-2d8052dc-1
0.327
NAU-LAT-30527ac5-4
0.327
JAN-GHE-6413aaf8-6
0.327
GAB-REV-4a4e2ff3-3
0.327
GAB-REV-4a4e2ff3-15
0.327
DAR-DIA-fb20be43-15
0.327
NAU-LAT-f723e322-1
0.327
STU-CHA-bc0a9883-1
0.327
JOK-SYG-302da050-1
0.327
DAR-DIA-fb20be43-11
0.327
NAU-LAT-81109c57-6
0.327
JOK-SYG-b7365cd7-1
0.326
JOH-MEM-4bb7e4cc-1
0.326
MAT-GIT-deadff56-1
0.326
DUN-NEW-f8ce3686-12
0.326
DAR-DIA-caba39e3-6
0.324
DAR-DIA-caba39e3-5
0.324
SHR-UNK-cde60afe-1
0.324
NAU-LAT-f723e322-2
0.324
ELE-IMP-dfb36048-5
0.321
WAR-XCH-e55cba98-3
0.321
NAU-LAT-81109c57-4
0.320
GAB-REV-4a4e2ff3-14
0.320
ROB-UNI-b2e39629-7
0.319
NAU-LAT-30527ac5-6
0.318
WAR-XCH-e55cba98-2
0.318
ASH-UNK-40b46b30-7
0.317
GAB-REV-4a4e2ff3-8
0.317
DAR-DIA-caba39e3-4
0.316
JAN-GHE-6413aaf8-2
0.315
MAK-UNK-ec98eaf6-33
0.314
MAK-UNK-be5ffcbc-5
0.314
ASH-UNK-40b46b30-5
0.313
JAN-GHE-6413aaf8-8
0.312
JOH-MSK-a63bdd1d-5
0.312
GAB-REV-4a4e2ff3-19
0.311
JOK-SYG-b9f02a42-2
0.311
JAN-GHE-6413aaf8-7
0.311
TAM-UNI-d1c3dd9f-2
0.310
WAR-XCH-e55cba98-5
0.310
GAB-REV-4a4e2ff3-9
0.309
NAU-LAT-0543f7f2-3
0.308