Molecular Properties | |
SMILES: | CC(C)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C1=CC(=O)N(Cc2ccccc2)C1=O |
MW: | 583.686 |
Fraction sp3: | 0.53 |
HBA: | 7 |
HBD: | 4 |
Rotatable Bonds: | 12 |
TPSA: | 163.01 |
cLogP: | 1.5484 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
Activated double bonds (2)
carbamate, T-boc Protected
carbamate include di-substitued N
Long aliphatic chain
vinyl michael acceptor1
Dipeptide
AAR-POS-d2a4d1df-1
JAN-GHE-86445305-1
0.500
JOH-MSK-8ad0fd05-1
0.402
JOH-MSK-46727e7b-1
0.393
JAN-GHE-86445305-3
0.371
YUN-WES-58b0dbae-8
0.353
YUN-WES-64c64eb2-6
0.353
OLE-CAR-5b17bec5-9
0.352
OLE-CAR-5b17bec5-8
0.343
YUN-WES-64c64eb2-2
0.341
YUN-WES-58b0dbae-7
0.341
NIC-UNK-21c5e845-3
0.333
YUN-WES-58b0dbae-1
0.331
YUN-WES-64c64eb2-1
0.326
YUN-WES-58b0dbae-2
0.326
OLE-CAR-5b17bec5-10
0.326
YUN-WES-58b0dbae-6
0.324
YUN-WES-85ecc354-1
0.324
HUB-UNK-9845d277-11
0.314
ALP-POS-c59291d4-7
0.313
SIM-TAK-0ea87db9-1
0.312
YUN-WES-64c64eb2-5
0.312
YUN-WES-64c64eb2-4
0.309
YUN-WES-58b0dbae-9
0.309
NIC-UNK-21c5e845-4
0.308
YUN-WES-58b0dbae-3
0.308
HUB-UNK-9845d277-9
0.306
JIA-UNI-9972d268-2
0.305
NIC-UNK-21c5e845-2
0.304
MAR-LAB-ff9967db-1
0.304
HUB-UNK-9845d277-6
0.297
NIC-UNK-21c5e845-1
0.295
HUB-UNK-9845d277-8
0.295
YUN-WES-58b0dbae-4
0.293
HUB-UNK-9845d277-5
0.287
HUB-UNK-9845d277-7
0.287
YUN-WES-58b0dbae-5
0.286
MAR-LAB-ff9967db-2
0.278
JIA-UNI-9972d268-1
0.278
DAV-SYG-f22c749d-9
0.276
JAN-GHE-f375bf5b-1
0.270
HUB-UNK-9845d277-12
0.268
YUN-WES-58b0dbae-10
0.268
YUN-WES-64c64eb2-3
0.268
MAR-TRE-3e4e6814-74
0.268
MAT-POS-bfefc3ea-3
0.264
FAR-UNI-124f5ee8-1
0.260
HUB-UNK-9845d277-10
0.260
DAV-SYG-f22c749d-4
0.259
MAT-POS-0bc33984-1
0.259
PRA-FNM-579d1514-1
0.250
JIM-PRI-216d613d-1
0.243
MAK-UNK-a7992eb3-26
0.243
MAK-UNK-1bb0b7ee-13
0.243
SAL-INS-68b48d12-2
0.241
ALP-POS-8b8a49e1-8
0.239
SAL-INS-a5f8a8b9-2
0.239
SAD-SAT-c989feaa-4
0.235
JUL-TUD-06b2044f-65
0.233
ARI-TAT-5792557e-24
0.233
RAL-MED-2de63afb-6
0.231
JOO-IND-9269dfbd-2
0.230
GIA-UNK-595fac82-5
0.230
DAV-SYG-f22c749d-12
0.230
VAL-ASS-c8151e3f-1
0.230
NIM-UNI-36e12f95-2
0.229
DAV-SYG-f22c749d-7
0.228
MIC-UNK-42806bd5-1
0.228
MAT-POS-500ca5bf-2
0.228
ALP-POS-90e38439-2
0.228
LOR-NEU-c8f11034-9
0.228
GIA-UNK-20b63697-9
0.226
SAL-INS-68b48d12-1
0.226
SAL-INS-a5f8a8b9-1
0.226
DAV-SYG-f22c749d-6
0.225
SAD-SAT-29425be4-8
0.224
MAK-UNK-1bb0b7ee-11
0.223
SHA-THE-408e7524-8
0.222
ERI-UCB-fbdd3ea1-14
0.220
DRA-CSI-0a78d9ba-5
0.218
JIG-UNK-11bede03-1
0.218
JUA-UNI-b93289a4-6
0.217
MAT-POS-b5746674-105
0.217
ADR-MCR-f276533c-1
0.217
JUS-UNI-57125a42-1
0.217
MAT-POS-ea426761-46
0.216
ALP-POS-90e38439-3
0.216
MIC-UNK-42806bd5-2
0.216
ALP-POS-8b8a49e1-5
0.216
MAR-SOS-c7881798-11
0.214
MAR-SOS-82e3a7c7-10
0.214
DRA-CSI-47e38074-3
0.214
DRA-CSI-47e38074-12
0.214
PAU-UNI-6d15a9f5-5
0.214
ABH-HOE-1cbf6cd9-3
0.213
ABH-HOE-1cbf6cd9-1
0.213
SAD-SAT-29425be4-23
0.213
PAU-UNI-6d15a9f5-7
0.212
MAR-TRE-3e4e6814-43
0.212
MAT-POS-c478e61b-2
0.212
MAK-UNK-f983951f-22
0.211