Molecular Properties | |
SMILES: | CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)OCC1CN(Cc2ccccc2)CCO1 |
MW: | 466.376 |
Fraction sp3: | 0.52 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 79.9 |
cLogP: | 1.2692 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
triple bond
Filter9_metal
Long aliphatic chain
Dipeptide
LON-WEI-8f408cad-3
MAK-UNK-a7992eb3-18
0.610
MAK-UNK-1bb0b7ee-13
0.505
MAK-UNK-a7992eb3-22
0.462
AAR-POS-0daf6b7e-30
0.434
MAK-UNK-a7992eb3-14
0.433
MAK-UNK-a7992eb3-23
0.430
MAK-UNK-1bb0b7ee-7
0.430
MAK-UNK-a7992eb3-20
0.426
MAK-UNK-1bb0b7ee-3
0.422
MAK-UNK-a7992eb3-10
0.412
MAK-UNK-a7992eb3-6
0.407
MAK-UNK-1bb0b7ee-10
0.407
MAK-UNK-a7992eb3-2
0.402
MAK-UNK-a7992eb3-24
0.381
MAK-UNK-a7992eb3-19
0.379
MAK-UNK-a7992eb3-27
0.376
MAK-UNK-a7992eb3-26
0.365
MAK-UNK-1bb0b7ee-14
0.359
MAK-UNK-c44f4be0-5
0.355
MAT-POS-59e2c5d7-1
0.349
AAR-POS-d2a4d1df-42
0.349
LAU-FAC-e2c8b4ad-1
0.333
UNK-CYC-68f84b31-55
0.328
MAK-UNK-a7992eb3-11
0.311
MAK-UNK-c44f4be0-10
0.306
MAK-UNK-a7992eb3-30
0.292
AAR-POS-d2a4d1df-16
0.289
MAK-UNK-a7992eb3-28
0.287
MAK-UNK-c44f4be0-2
0.286
GIA-UNK-595fac82-5
0.284
MAK-UNK-c44f4be0-9
0.283
MAK-UNK-a7992eb3-3
0.282
NIC-BIO-3276ca7f-2
0.280
MAK-UNK-a7992eb3-29
0.279
AAR-POS-d2a4d1df-43
0.278
DAV-UNI-bdcebb58-4
0.277
MAK-UNK-009ebe36-8
0.275
MAK-UNK-c44f4be0-1
0.275
FRA-BIO-8bf1eac9-8
0.275
NIC-BIO-3276ca7f-1
0.273
NIC-BIO-7d400292-1
0.269
MAT-POS-b5746674-105
0.269
DRR-IMP-38dce17f-3
0.267
MAK-UNK-7c9d1431-24
0.267
NIC-BIO-3276ca7f-3
0.265
GIA-UNK-5ec6c2b8-3
0.264
SAD-SAT-1f400d17-1
0.264
NIC-BIO-b40446ce-1
0.263
BAR-COM-4e090d3a-45
0.259
AAR-POS-fca48359-3
0.259
SAL-INS-68b48d12-12
0.259
DAV-UNI-bdcebb58-1
0.259
BAR-COM-4e090d3a-55
0.258
ANT-OPE-c0c3e7cc-1
0.255
MAK-UNK-a7992eb3-25
0.254
MAK-UNK-af83ef51-2
0.253
MAR-TRE-66ac689e-34
0.252
SAL-INS-68b48d12-4
0.252
MAK-UNK-c44f4be0-8
0.252
SER-UNI-400afb01-4
0.250
MAT-POS-b5746674-110
0.250
SAD-SAT-c989feaa-4
0.250
MAK-UNK-b1d4dcd7-10
0.250
VAL-ASS-db6a4353-1
0.248
MAK-UNK-c44f4be0-11
0.246
MAK-UNK-c44f4be0-6
0.246
MAR-SOS-82e3a7c7-4
0.245
MAR-SOS-c7881798-7
0.245
MAT-CRI-83f800fc-1
0.242
TAT-ENA-80bfd3e5-41
0.242
VAL-ASS-c8151e3f-1
0.242
SAL-INS-a5f8a8b9-2
0.242
MAR-SOS-82e3a7c7-9
0.241
MAR-SOS-c7881798-9
0.241
DAN-LON-a5fc619e-10
0.241
MAK-UNK-10dfa458-9
0.240
YUN-WES-85ecc354-1
0.239
YUN-WES-58b0dbae-6
0.239
JUS-UNI-57125a42-1
0.239
MAR-SOS-c7881798-11
0.236
MAR-SOS-82e3a7c7-10
0.236
STE-KUL-2e0d2e88-7
0.236
UNK-CYC-68f84b31-21
0.236
MAR-TRE-66ac689e-43
0.234
DAN-LON-a5fc619e-4
0.234
ASH-SAT-43770c7d-3
0.233
PAU-UNI-6d15a9f5-1
0.233
JOH-IMS-7e73aedd-4
0.233
DAR-DIA-8e329c92-8
0.233
MAK-UNK-15efde89-1
0.232
MAR-TRE-04c86cea-14
0.232
OLE-CAR-5b17bec5-10
0.232
AAR-POS-0daf6b7e-26
0.232
MAK-UNK-6435e6c2-9
0.232
MAK-UNK-b1d4dcd7-9
0.231
DRA-CSI-47e38074-2
0.231
SAD-SAT-7d5528d9-35
0.231
MAK-UNK-b1d4dcd7-6
0.231
MAR-TRE-dab8f6ea-34
0.230
MAR-TRE-0fda4e82-37
0.230