Molecular Properties | |
SMILES: | C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O |
MW: | 601.35 |
Fraction sp3: | 0.65 |
HBA: | 8 |
HBD: | 5 |
Rotatable Bonds: | 14 |
TPSA: | 163.96 |
cLogP: | 1.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aldehyde
aldehyde
Aldehydes
Filter38_aldehyde
aldehyde
carbamate, CBZ Protected
carbamate include di-substitued N
aldehyde
Long aliphatic chain
Dipeptide
Aldehyde
AAR-POS-d2a4d1df-1
OLE-CAR-5b17bec5-10
0.863
OLE-CAR-5b17bec5-9
0.625
JOH-MSK-8ad0fd05-1
0.590
OLE-CAR-5b17bec5-8
0.484
JOH-MSK-46727e7b-1
0.418
MAT-POS-bfefc3ea-2
0.382
NIC-UNK-21c5e845-2
0.346
YUN-WES-58b0dbae-1
0.343
NIC-UNK-21c5e845-1
0.336
NIC-UNK-21c5e845-3
0.326
YUN-WES-64c64eb2-5
0.324
YUN-WES-64c64eb2-2
0.324
YUN-WES-58b0dbae-7
0.324
YUN-WES-58b0dbae-4
0.322
JAN-GHE-86445305-2
0.312
YUN-WES-58b0dbae-3
0.310
DAV-SYG-f22c749d-9
0.303
FAR-UNI-a04c1544-1
0.302
HUB-UNK-9845d277-11
0.300
JAN-GHE-f375bf5b-1
0.300
YUN-WES-58b0dbae-6
0.299
YUN-WES-85ecc354-1
0.299
HUB-UNK-9845d277-8
0.297
DAV-SYG-f22c749d-4
0.295
DAV-SYG-f22c749d-7
0.295
YUN-WES-64c64eb2-1
0.293
YUN-WES-58b0dbae-2
0.293
PRA-FNM-579d1514-1
0.292
NIC-UNK-21c5e845-4
0.291
HUB-UNK-9845d277-6
0.291
YUN-WES-58b0dbae-8
0.291
YUN-WES-64c64eb2-6
0.291
YUN-WES-58b0dbae-5
0.288
YUN-WES-64c64eb2-4
0.287
YUN-WES-58b0dbae-9
0.287
HUB-UNK-9845d277-9
0.285
FAR-UNI-124f5ee8-1
0.285
HUB-UNK-9845d277-5
0.281
HUB-UNK-9845d277-7
0.281
UNK-CYC-68f84b31-75
0.278
MAT-POS-bfefc3ea-3
0.277
HUB-UNK-9845d277-12
0.272
JIA-UNI-9972d268-2
0.269
DAV-SYG-f22c749d-6
0.268
DAV-SYG-f22c749d-12
0.264
MAR-LAB-ff9967db-2
0.264
DAV-SYG-f22c749d-10
0.263
ALP-POS-c59291d4-7
0.261
MAR-LAB-ff9967db-1
0.261
AAR-POS-fca48359-12
0.260
FAR-UNI-9a76d7b5-1
0.260
BAR-COM-4e090d3a-19
0.258
HUB-UNK-9845d277-10
0.255
VAL-UNK-82caa8e7-1
0.248
YUN-WES-58b0dbae-10
0.247
YUN-WES-64c64eb2-3
0.247
ABH-HOE-1cbf6cd9-4
0.245
JIA-UNI-9972d268-1
0.242
DRA-CSI-47e38074-4
0.241
MAK-UNK-f983951f-5
0.241
JIM-PRI-216d613d-1
0.238
MAK-UNK-1bb0b7ee-13
0.237
LAU-FAC-e2c8b4ad-1
0.236
JAN-GHE-86445305-1
0.235
DAV-SYG-f22c749d-3
0.235
JOO-IND-9269dfbd-2
0.234
VAL-ASS-c8151e3f-1
0.234
DAV-SYG-f22c749d-8
0.234
MAR-TRE-87acfbcc-18
0.231
JUS-UNI-57125a42-1
0.231
VAL-ASS-db6a4353-1
0.231
MAK-UNK-a7992eb3-21
0.229
ABH-HOE-1cbf6cd9-3
0.226
ABH-HOE-1cbf6cd9-1
0.225
MAR-TRE-f6f5f473-80
0.224
ADR-MCR-f276533c-1
0.221
BOW-UNK-ca7e31b7-1
0.221
ABH-HOE-1cbf6cd9-2
0.220
UNK-CYC-68f84b31-17
0.220
PAU-UNI-6d15a9f5-6
0.220
UNK-CYC-68f84b31-70
0.219
SAD-SAT-29425be4-29
0.218
PAU-UNI-6d15a9f5-7
0.216
NIM-UNI-36e12f95-2
0.215
MAR-SOS-c7881798-1
0.214
MAR-SOS-82e3a7c7-11
0.214
SAL-INS-68b48d12-4
0.214
JIG-UNK-11bede03-3
0.213
MAK-UNK-a7992eb3-26
0.212
MAD-FNM-699002a3-1
0.211
MAT-POS-ea426761-46
0.211
SAL-INS-68b48d12-12
0.211
SHA-THE-408e7524-8
0.209
SAL-INS-68b48d12-2
0.209
JUL-TUD-06b2044f-65
0.208
MAR-SOS-82e3a7c7-4
0.208
MAR-SOS-c7881798-7
0.208
MAD-UNK-d7ec037c-1
0.207
MAD-UNK-1cc096ab-1
0.207
MAD-UNK-3bd48932-1
0.207