Molecular Properties | |
SMILES: | CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)OC1CS(=O)(=O)C1 |
MW: | 381.248 |
Fraction sp3: | 0.67 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 101.57 |
cLogP: | -0.834799999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
triple bond
Oxetanes, thietanes
Filter9_metal
Long aliphatic chain
Dipeptide
LON-WEI-8f408cad-3
MAK-UNK-a7992eb3-14
0.506
AAR-POS-d2a4d1df-42
0.492
MAT-POS-59e2c5d7-1
0.492
MAK-UNK-1bb0b7ee-13
0.455
MAK-UNK-1bb0b7ee-7
0.453
MAK-UNK-a7992eb3-27
0.438
MAK-UNK-a7992eb3-28
0.438
MAK-UNK-1bb0b7ee-3
0.407
MAK-UNK-a7992eb3-21
0.407
AAR-POS-d2a4d1df-43
0.379
MAK-UNK-a7992eb3-6
0.364
MAK-UNK-1bb0b7ee-14
0.364
AAR-POS-d2a4d1df-16
0.312
MAK-UNK-a7992eb3-11
0.307
NIC-BIO-7d400292-1
0.301
MAK-UNK-c44f4be0-5
0.301
NIC-BIO-3276ca7f-2
0.284
MAK-UNK-a7992eb3-29
0.283
NIC-BIO-3276ca7f-3
0.280
MAK-UNK-a7992eb3-26
0.279
NIC-BIO-b40446ce-1
0.277
MAK-UNK-a7992eb3-18
0.269
NIC-BIO-3276ca7f-1
0.261
MAK-UNK-a7992eb3-30
0.260
MAK-UNK-a7992eb3-25
0.252
MAK-UNK-a7992eb3-3
0.241
LAU-FAC-e2c8b4ad-1
0.241
MAK-UNK-c44f4be0-10
0.232
MAK-UNK-c44f4be0-1
0.229
MAK-UNK-c44f4be0-2
0.229
MAT-CRI-83f800fc-2
0.220
MAT-CRI-83f800fc-1
0.215
MAK-UNK-c44f4be0-14
0.214
MAK-UNK-c44f4be0-9
0.210
MAK-UNK-c44f4be0-11
0.206
MAK-UNK-c44f4be0-8
0.202
KEI-TRE-fa9ada3e-14
0.200
MAK-UNK-c44f4be0-3
0.198
MAR-TRE-9c797165-24
0.198
MAK-UNK-c44f4be0-4
0.196
NIC-BIO-a68395b7-1
0.196
JOH-IMS-cc7b4c67-7
0.195
ANT-OPE-8e6e7f4d-1
0.194
MAK-UNK-c44f4be0-6
0.194
NIC-BIO-7d400292-4
0.194
ABI-SAT-62b2a540-2
0.193
MAR-TRE-e86a56b5-54
0.190
MAR-TRE-c317dd82-21
0.188
MAR-TRE-4f39ef4a-74
0.184
AAR-POS-0daf6b7e-24
0.182
DAV-CRI-eab5efcb-6
0.182
MAR-TRE-e86a56b5-64
0.182
SHA-THE-408e7524-3
0.181
KEI-TRE-fa9ada3e-12
0.180
MAR-TRE-ebcc4ad6-33
0.180
MAR-TRE-4f39ef4a-82
0.180
MAR-TRE-4f39ef4a-45
0.178
MAK-UNK-f983951f-16
0.176
MAK-UNK-1bb0b7ee-11
0.176
MAR-TRE-423310b6-49
0.175
JOH-IMS-cc7b4c67-3
0.174
CLI-TLC-0c07150b-1
0.173
MAR-TRE-423310b6-22
0.173
JOH-IMS-cc7b4c67-5
0.172
MAR-TRE-2fd8122f-79
0.172
MAK-UNK-a7992eb3-22
0.172
MAK-UNK-f983951f-9
0.172
MAR-TRE-e86a56b5-9
0.171
NIC-BIO-a68395b7-5
0.170
MAK-UNK-942dcb71-8
0.170
SAL-INS-68b48d12-12
0.170
MAK-UNK-f983951f-7
0.169
MAR-TRE-e86a56b5-49
0.169
JOH-MSK-a63bdd1d-1
0.169
DAV-CRI-e1c2b579-1
0.167
MAR-TRE-e86a56b5-90
0.167
JOH-IMS-0f19a540-12
0.167
VOL-CHA-d666e5ae-2
0.165
MAR-TRE-36bf7dba-29
0.165
JAL-FNM-6aee6781-1
0.165
MAK-UNK-be3f299e-5
0.165
MAR-TRE-e86a56b5-83
0.165
MAR-TRE-85681e92-92
0.164
NJA-MAN-b9fb953f-2
0.163
JOH-MSK-ec639444-1
0.163
MAR-TRE-fffca54f-90
0.163
MAR-TRE-e82e6c98-77
0.163
JOH-MSK-a63bdd1d-4
0.163
MAR-UCB-195bc32d-16
0.163
MAK-UNK-10dfa458-9
0.163
MAR-TRE-423310b6-54
0.163
DAV-IMP-59dd6621-21
0.162
MAK-UNK-c44f4be0-7
0.162
NIC-BIO-b40446ce-2
0.162
SAL-INS-68b48d12-4
0.162
AAR-POS-d2a4d1df-2
0.161
JON-UIO-cc955e79-4
0.160
MAR-TRE-e86a56b5-98
0.160
UNK-CYC-68f84b31-22
0.160
MAR-TRE-d3c2bf0e-52
0.160