Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(CCCC3CN(C(=O)CCl)CCN3C(C)=O)cccc12 |
MW: | 446.979 |
Fraction sp3: | 0.52 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 85.51 |
cLogP: | 2.4673 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DUN-NEW-f8ce3686-24
0.536
PAT-UNK-b2d83456-4
0.505
MAK-UNK-ec98eaf6-47
0.505
DUN-NEW-f8ce3686-21
0.489
CAL-AMP-9edebd8f-1
0.489
ELE-IMP-dfb36048-2
0.489
DUN-NEW-f8ce3686-10
0.489
DUN-NEW-f8ce3686-11
0.465
JAN-GHE-6413aaf8-5
0.461
PAU-WEI-b9b69149-7
0.434
MED-COV-4280ac29-21
0.431
PAU-WEI-b9b69149-8
0.426
PAU-WEI-b9b69149-9
0.424
MAK-UNK-ec98eaf6-8
0.414
PAU-WEI-f734c343-1
0.412
NIR-THE-0d6461ce-2
0.411
NIR-THE-0d6461ce-3
0.407
JOK-SYG-302da050-1
0.406
STU-CHA-bc0a9883-1
0.406
DAR-DIA-fb20be43-11
0.406
NAU-LAT-f723e322-1
0.406
DAR-DIA-fb20be43-15
0.406
TAM-UNI-c140e31a-16
0.400
NAU-LAT-81109c57-6
0.393
NIR-THE-c331be7a-3
0.387
MAK-UNK-ec98eaf6-54
0.385
MAK-UNK-ec98eaf6-55
0.382
JOK-SYG-b9f02a42-1
0.382
DAR-DIA-fb20be43-14
0.382
MAK-UNK-ec98eaf6-33
0.378
MAK-UNK-ec98eaf6-56
0.378
MAK-UNK-ec98eaf6-34
0.377
JOK-SYG-b9f02a42-2
0.375
JAN-GHE-6413aaf8-8
0.374
DAR-DIA-caba39e3-5
0.373
JOK-SYG-b9f02a42-3
0.372
ELE-IMP-dfb36048-5
0.370
DAR-DIA-caba39e3-6
0.361
JOH-MSK-d60b0211-1
0.361
PAT-UNK-b2d83456-5
0.361
MAK-UNK-ec98eaf6-41
0.361
JAN-GHE-6413aaf8-4
0.358
JAN-GHE-6413aaf8-2
0.353
JAN-GHE-6413aaf8-6
0.353
MAK-UNK-10799360-31
0.352
DAR-DIA-caba39e3-4
0.352
NAU-LAT-f723e322-2
0.351
JAN-GHE-6413aaf8-7
0.351
TAM-UNI-d1c3dd9f-20
0.349
SAM-UNK-903735bd-1
0.343
JAN-GHE-6413aaf8-1
0.342
SAN-PRS-3c4a6997-2
0.340
DAN-PUR-3907f623-1
0.337
BEN-DND-362d364a-8
0.337
ROB-UNI-b2e39629-4
0.337
MAK-UNK-be5ffcbc-2
0.336
MAK-UNK-10572812-12
0.336
ROB-UNI-b2e39629-6
0.333
MAK-UNK-be5ffcbc-4
0.333
MAK-UNK-be5ffcbc-9
0.333
JOH-MSK-2d8052dc-1
0.331
NAU-LAT-81109c57-7
0.331
GAB-REV-4a4e2ff3-1
0.328
HAN-NEW-5f56c3bc-2
0.327
SAM-UNK-903735bd-2
0.324
ELE-IMP-dfb36048-1
0.324
SIM-DEM-265738e1-1
0.324
PET-SGC-f818f65b-1
0.324
TAM-UNI-c140e31a-15
0.324
NAU-LAT-30527ac5-6
0.322
JAN-GHE-6413aaf8-3
0.322
GAB-REV-4a4e2ff3-8
0.321
TAM-UNI-c140e31a-2
0.321
JOK-SYG-b7365cd7-1
0.318
MAK-UNK-be5ffcbc-6
0.315
WIL-LEE-1f71e281-6
0.314
NAU-LAT-0543f7f2-3
0.314
NAU-LAT-30527ac5-5
0.314
GAB-REV-4a4e2ff3-5
0.314
NAU-LAT-30527ac5-4
0.309
GAB-REV-4a4e2ff3-15
0.308
MAK-UNK-be5ffcbc-5
0.307
SHR-UNK-cde60afe-1
0.306
PET-SGC-1c3a473d-1
0.303
SAN-PRS-3c4a6997-1
0.300
ASH-UNK-40b46b30-7
0.299
RAM-SYN-2a37ce6c-3
0.297
GAB-REV-4a4e2ff3-3
0.297
SAD-SAT-c989feaa-10
0.296
ASH-UNK-40b46b30-5
0.295
GAB-REV-4a4e2ff3-4
0.293
JAN-GHE-6413aaf8-10
0.292
MAR-TRE-4f781e27-23
0.291
WAR-XCH-e55cba98-2
0.290
MAK-UNK-10572812-13
0.290
MAR-UCB-195bc32d-16
0.290
JOH-MSK-a63bdd1d-4
0.290
GAB-REV-4a4e2ff3-21
0.289
TAM-UNI-c140e31a-3
0.289
ROB-UNI-b2e39629-7
0.287