Molecular Properties | |
SMILES: | CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)O |
MW: | 277.118 |
Fraction sp3: | 0.56 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 78.43 |
cLogP: | -0.6561 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
triple bond
Filter9_metal
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-1
AAR-POS-d2a4d1df-42
1.000
MAK-UNK-1bb0b7ee-10
0.492
AAR-POS-d2a4d1df-43
0.471
MAK-UNK-1bb0b7ee-7
0.453
MAK-UNK-a7992eb3-27
0.414
AAR-POS-d2a4d1df-16
0.393
MAK-UNK-1bb0b7ee-3
0.382
MAK-UNK-c44f4be0-5
0.364
MAK-UNK-a7992eb3-14
0.362
NIC-BIO-7d400292-1
0.353
MAK-UNK-1bb0b7ee-13
0.349
MAK-UNK-a7992eb3-21
0.349
NIC-BIO-3276ca7f-2
0.329
MAK-UNK-a7992eb3-6
0.322
MAK-UNK-1bb0b7ee-14
0.322
ANT-OPE-8e6e7f4d-1
0.321
MAK-UNK-a7992eb3-28
0.320
NIC-BIO-3276ca7f-1
0.316
MAK-UNK-a7992eb3-29
0.308
NIC-BIO-3276ca7f-3
0.304
NIC-BIO-b40446ce-1
0.300
MAT-CRI-83f800fc-2
0.300
MAT-CRI-83f800fc-1
0.295
MAK-UNK-c44f4be0-10
0.278
MAK-UNK-c44f4be0-2
0.270
MAK-UNK-c44f4be0-1
0.270
MAK-UNK-a7992eb3-30
0.264
MAK-UNK-a7992eb3-11
0.261
MAK-UNK-a7992eb3-26
0.258
MAK-UNK-c44f4be0-14
0.256
MAR-TRE-85681e92-92
0.255
MAK-UNK-c44f4be0-9
0.250
MAK-UNK-a7992eb3-18
0.247
MAK-UNK-c44f4be0-11
0.244
MAK-UNK-a7992eb3-25
0.243
MAK-UNK-c44f4be0-8
0.239
LAU-FAC-8471e121-1
0.235
MAK-UNK-c44f4be0-3
0.233
SHA-THE-408e7524-3
0.232
MAK-UNK-a7992eb3-3
0.231
MAK-UNK-c44f4be0-4
0.231
MAR-TRE-e86a56b5-90
0.230
LAU-FAC-e2c8b4ad-1
0.227
MAR-TRE-87acfbcc-38
0.226
MAK-UNK-be3f299e-5
0.226
CLI-TLC-0c07150b-1
0.220
MAR-TRE-423310b6-49
0.219
MAK-UNK-c44f4be0-6
0.216
MAR-TRE-c317dd82-21
0.215
MAT-POS-590ac91e-13
0.215
MAR-TRE-e86a56b5-49
0.213
MAR-TRE-d3c2bf0e-52
0.203
SAL-INS-68b48d12-12
0.202
MAR-TRE-e86a56b5-54
0.200
MAR-TRE-e86a56b5-63
0.200
MAR-TRE-fffca54f-96
0.200
MAR-TRE-e86a56b5-98
0.200
HAI-UNI-1b662ac3-1
0.197
KEI-TRE-fa9ada3e-14
0.194
MAR-TRE-e86a56b5-81
0.194
SAL-INS-68b48d12-4
0.193
NIC-BIO-a68395b7-5
0.192
MAR-TRE-4f39ef4a-74
0.192
MAK-UNK-c44f4be0-7
0.191
MAR-TRE-e86a56b5-64
0.190
MAR-TRE-4f39ef4a-61
0.188
MAR-TRE-aca67d11-97
0.186
MAR-TRE-4f39ef4a-69
0.186
MAK-UNK-f983951f-6
0.185
SAL-INS-a5f8a8b9-2
0.185
ERI-WAB-212bafa6-1
0.185
MAR-TRE-4f39ef4a-45
0.184
NIC-BIO-a68395b7-2
0.184
ROB-UNI-b2e39629-6
0.182
ERI-WAB-212bafa6-2
0.182
VOL-CHA-d666e5ae-5
0.181
MAR-TRE-e82e6c98-72
0.181
MAR-TRE-74c6519b-52
0.179
MAR-TRE-2fd8122f-79
0.178
SHA-THE-408e7524-10
0.178
MAR-TRE-e86a56b5-58
0.177
MAR-TRE-36bf7dba-11
0.177
JON-UIO-066ce08b-13
0.176
MAR-TRE-e86a56b5-9
0.176
MAR-TRE-e86a56b5-31
0.176
MAR-TRE-2fd8122f-56
0.176
JOH-UNI-c7afdb96-12
0.176
MAR-TRE-4f39ef4a-59
0.176
JOH-UNI-c7afdb96-11
0.176
NIC-BIO-a68395b7-3
0.176
MAR-TRE-aca67d11-43
0.176
ANT-DIA-b7f58f21-4
0.175
ROB-UNI-b2e39629-7
0.175
NIC-BIO-a68395b7-1
0.175
SAL-INS-68b48d12-2
0.174
DUN-NEW-f8ce3686-12
0.173
JOH-MSK-a63bdd1d-1
0.173
JOH-MEM-4bb7e4cc-1
0.173
MAT-GIT-deadff56-1
0.173
MAX-MCD-16e3709a-1
0.172