Molecular Properties | |
SMILES: | CC(=O)NCCc1cn(C)c2c(C(C)NC(=O)CCl)cccc12 |
MW: | 335.835 |
Fraction sp3: | 0.41 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 63.13 |
cLogP: | 2.2729 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
TAM-UNI-d1c3dd9f-23
0.500
TAM-UNI-d1c3dd9f-20
0.471
AAR-POS-d2a4d1df-39
0.431
JOK-SYG-b7365cd7-1
0.400
SAN-PRS-3c4a6997-3
0.380
TAM-UNI-d1c3dd9f-19
0.351
ROB-UNI-b2e39629-8
0.341
DUN-NEW-f8ce3686-21
0.337
DUN-NEW-f8ce3686-5
0.333
MED-COV-4280ac29-21
0.327
PAU-WEI-f734c343-1
0.324
PAU-WEI-b9b69149-7
0.321
TAM-UNI-d1c3dd9f-21
0.319
PAU-WEI-b9b69149-8
0.315
DAV-CRI-3edb475e-3
0.312
PET-SGC-708ec5d8-1
0.310
ROB-UNI-b2e39629-6
0.310
PAU-WEI-b9b69149-9
0.304
CHA-MCP-85291e1d-7
0.303
AAR-POS-0daf6b7e-10
0.303
SAN-PRS-3c4a6997-2
0.300
DUN-NEW-f8ce3686-24
0.296
DUN-NEW-f8ce3686-8
0.293
ANT-OPE-81f9835f-1
0.293
JOH-MSK-ec639444-3
0.293
DUN-NEW-f8ce3686-13
0.292
MAK-UNK-ec98eaf6-8
0.291
SIM-DEM-5935bd74-3
0.287
PAT-UNK-b2d83456-4
0.287
ROB-UNI-b2e39629-7
0.286
HAN-NEW-5f56c3bc-4
0.284
MAR-TRE-3159af1a-53
0.284
ROB-UNI-b2e39629-5
0.281
DUN-NEW-f8ce3686-11
0.281
ROB-UNI-b2e39629-11
0.280
CAL-AMP-9edebd8f-1
0.278
ELE-IMP-dfb36048-2
0.278
DUN-NEW-f8ce3686-10
0.278
JOH-MEM-5e386bbd-3
0.272
DUN-NEW-f8ce3686-6
0.271
SAN-PRS-3c4a6997-1
0.271
AAR-POS-d2a4d1df-2
0.271
MAT-GIT-deadff56-2
0.270
ANT-DIA-b7f58f21-4
0.268
DAV-CRI-eab5efcb-1
0.267
MAK-UNK-ec98eaf6-54
0.267
MAK-UNK-ec98eaf6-47
0.267
MAR-TRE-3159af1a-94
0.266
DAV-CRI-3edb475e-1
0.266
DAV-CRI-3edb475e-6
0.266
MAK-UNK-ec98eaf6-55
0.265
MAR-TRE-3159af1a-98
0.263
TAM-UNI-c140e31a-16
0.263
STU-CHA-91df9a40-1
0.263
MAR-TRE-6a44bbf2-5
0.263
ROB-UNI-b2e39629-12
0.260
MAR-TRE-6a44bbf2-81
0.259
JOH-MSK-a63bdd1d-4
0.259
MAR-UCB-195bc32d-16
0.259
DAR-DIA-fb20be43-15
0.257
JAN-GHE-6413aaf8-5
0.257
MAK-UNK-ec98eaf6-56
0.254
DAV-CRI-3edb475e-2
0.253
WIL-LEE-23e8b574-2
0.253
DAV-CRI-eab5efcb-8
0.253
WIL-LEE-23e8b574-3
0.250
NIR-THE-0d6461ce-3
0.250
JOH-MSK-35a8745a-1
0.250
ALE-ACE-2610ee4d-1
0.250
MAR-UCB-195bc32d-21
0.250
TAM-UNI-d1c3dd9f-11
0.248
MAT-GIT-deadff56-1
0.247
DUN-NEW-f8ce3686-12
0.247
JOH-MEM-4bb7e4cc-1
0.247
STU-CHA-bc0a9883-1
0.245
NAU-LAT-f723e322-1
0.245
NAU-LAT-81109c57-6
0.245
DAR-DIA-fb20be43-11
0.245
JOK-SYG-302da050-1
0.245
JOH-MEM-5e386bbd-8
0.244
NIR-THE-c331be7a-3
0.243
DAR-DIA-caba39e3-4
0.243
JOK-SYG-b9f02a42-3
0.243
SIM-SYN-a98e6a07-4
0.243
SAN-PRS-3c4a6997-5
0.241
MAK-UNK-ec98eaf6-41
0.241
MAK-UNK-f983951f-22
0.241
NIR-THE-0d6461ce-2
0.240
DAR-DIA-caba39e3-5
0.239
DAR-DIA-caba39e3-6
0.239
DAV-CRI-eab5efcb-2
0.239
JOK-SYG-b9f02a42-1
0.238
DAR-DIA-fb20be43-14
0.238
DAV-CRI-14a23e73-4
0.237
MAR-TRE-d3c2bf0e-52
0.237
JOH-MSK-a63bdd1d-5
0.237
NIR-THE-99f25457-1
0.236
MAK-UNK-be5ffcbc-9
0.236
MAK-UNK-ec98eaf6-33
0.236
GAB-REV-4a4e2ff3-15
0.236