Molecular Properties | |
SMILES: | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(c1ccccc1)N1CCN(C(=O)CCl)CC1 |
MW: | 472.973 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 101.98 |
cLogP: | 1.6374 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
non_ring_acetal
acyclic N-C-N
Long aliphatic chain
Dipeptide
NIM-UNI-ed9fc491-4
0.651
NIM-UNI-ed9fc491-1
0.573
NIM-UNI-ed9fc491-2
0.566
MAK-UNK-10799360-26
0.495
VOL-CHA-d666e5ae-4
0.447
NIC-BIO-a68395b7-4
0.442
NIC-BIO-a68395b7-3
0.417
TRY-UNI-9f475305-11
0.414
AAR-POS-d2a4d1df-16
0.410
MAK-UNK-c44f4be0-7
0.408
GIA-UNK-20b63697-7
0.407
MAR-TRE-e86a56b5-63
0.405
MAR-TRE-fffca54f-96
0.405
SIM-SYN-f15aaa3a-1
0.403
NIC-BIO-a68395b7-5
0.400
NIC-BIO-a68395b7-1
0.400
DAR-DIA-3e9bbd81-12
0.395
GIA-UNK-7337c2f3-2
0.395
MAR-TRE-6a44bbf2-92
0.395
GIA-UNK-20b63697-1
0.393
NIC-BIO-a68395b7-2
0.386
GIA-UNK-7337c2f3-10
0.384
MAR-TRE-e86a56b5-58
0.382
MAK-UNK-af83ef51-2
0.381
SEL-UNI-cd366922-2
0.379
MED-COV-4280ac29-6
0.378
PAU-WEI-b9b69149-1
0.376
AHN-SAT-de2502ba-1
0.375
GIA-UNK-7337c2f3-7
0.372
VOL-CHA-d666e5ae-2
0.371
MAK-UNK-a7992eb3-3
0.368
SEL-UNI-49ab05bd-6
0.367
TRY-UNI-9f475305-10
0.366
GIA-UNK-7337c2f3-11
0.363
GIA-UNK-7337c2f3-1
0.360
GIA-UNK-7337c2f3-8
0.360
GIA-UNK-7337c2f3-9
0.360
GIA-UNK-7337c2f3-14
0.358
CHA-KIN-bfe9b535-7
0.357
MAK-UNK-10dfa458-39
0.356
GIA-UNK-7337c2f3-4
0.356
SEL-UNI-cd366922-5
0.356
GIA-UNK-20b63697-5
0.356
MAR-TRE-e86a56b5-45
0.354
GIA-UNK-20b63697-6
0.352
GIA-UNK-7337c2f3-3
0.352
GIA-UNK-7337c2f3-6
0.352
GIA-UNK-4de5abb1-1
0.352
GIA-UNK-20b63697-8
0.352
MED-COV-4280ac29-7
0.352
PAU-WEI-b9b69149-3
0.351
MAK-UNK-c44f4be0-11
0.350
MED-COV-dea4df70-1
0.348
CHA-KIN-bfe9b535-8
0.346
CHA-KIN-bfe9b535-1
0.346
MAR-TRE-e86a56b5-69
0.345
CHA-KIN-bfe9b535-4
0.345
GIA-UNK-7337c2f3-5
0.344
GIA-UNK-7337c2f3-12
0.344
MAK-UNK-c44f4be0-10
0.343
GIA-UNK-20b63697-4
0.341
GIA-UNK-20b63697-3
0.341
GIA-UNK-20b63697-2
0.341
CHA-KIN-bfe9b535-5
0.339
MAR-TRE-e86a56b5-66
0.337
GIA-UNK-20b63697-9
0.337
MED-COV-4280ac29-21
0.336
CHA-KIN-bfe9b535-3
0.330
CHA-KIN-bfe9b535-2
0.330
MAK-UNK-c44f4be0-9
0.330
GIA-UNK-7337c2f3-13
0.330
DAR-DIA-3e9bbd81-11
0.330
MED-COV-4280ac29-18
0.330
MAR-TRE-e86a56b5-47
0.329
CHA-KIN-bfe9b535-9
0.328
PAU-WEI-b9b69149-2
0.327
PAU-WEI-b9b69149-4
0.327
DAV-CRI-25b90884-4
0.327
GIA-UNK-7337c2f3-15
0.326
MAR-TRE-e86a56b5-55
0.326
AHN-SAT-de2502ba-7
0.325
DRR-IMP-38dce17f-3
0.325
MAK-UNK-7c9d1431-24
0.325
DAR-DIA-3e9bbd81-15
0.324
MAR-TRE-6a44bbf2-77
0.322
MAK-UNK-6ca90168-11
0.321
MAK-UNK-c44f4be0-4
0.321
SEA-TRI-2c7f3de8-1
0.320
PAU-WEI-b9b69149-7
0.319
MAK-UNK-c44f4be0-8
0.318
MAR-TRE-e86a56b5-31
0.318
SWA-SYN-d2e6fa14-1
0.314
SWA-SYN-6423ea73-1
0.314
MAR-TRE-e86a56b5-97
0.312
SEA-TRI-8222e606-1
0.312
MAK-UNK-c44f4be0-14
0.311
MAK-UNK-15efde89-1
0.310
MAR-TRE-e86a56b5-67
0.310
MAR-TRE-e86a56b5-98
0.310
MAK-UNK-7c9d1431-9
0.310