Molecular Properties | |
SMILES: | CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O |
MW: | 600.757 |
Fraction sp3: | 0.66 |
HBA: | 7 |
HBD: | 4 |
Rotatable Bonds: | 14 |
TPSA: | 151.93 |
cLogP: | 3.1501 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
aldehyde
aldehyde
Aldehydes
Filter38_aldehyde
aldehyde
carbamate, CBZ Protected
carbamate include di-substitued N
aldehyde
Long aliphatic chain
Dipeptide
Aldehyde
SIM-TAK-0ea87db9-1
0.863
OLE-CAR-5b17bec5-9
0.650
JOH-MSK-8ad0fd05-1
0.618
OLE-CAR-5b17bec5-8
0.504
JOH-MSK-46727e7b-1
0.437
NIC-UNK-21c5e845-2
0.414
NIC-UNK-21c5e845-1
0.403
MAT-POS-bfefc3ea-2
0.389
YUN-WES-58b0dbae-1
0.359
NIC-UNK-21c5e845-4
0.357
NIC-UNK-21c5e845-3
0.341
YUN-WES-64c64eb2-2
0.338
YUN-WES-58b0dbae-7
0.338
YUN-WES-64c64eb2-5
0.338
YUN-WES-58b0dbae-4
0.327
JAN-GHE-86445305-2
0.326
YUN-WES-58b0dbae-3
0.324
YUN-WES-58b0dbae-6
0.312
YUN-WES-85ecc354-1
0.312
YUN-WES-64c64eb2-4
0.307
YUN-WES-58b0dbae-9
0.307
FAR-UNI-a04c1544-1
0.307
YUN-WES-64c64eb2-1
0.306
YUN-WES-58b0dbae-2
0.306
JAN-GHE-f375bf5b-1
0.304
PRA-FNM-579d1514-1
0.304
YUN-WES-58b0dbae-8
0.303
YUN-WES-64c64eb2-6
0.303
YUN-WES-58b0dbae-5
0.301
FAR-UNI-124f5ee8-1
0.300
DAV-SYG-f22c749d-9
0.299
HUB-UNK-9845d277-11
0.296
HUB-UNK-9845d277-8
0.293
MAT-POS-bfefc3ea-3
0.291
HUB-UNK-9845d277-6
0.286
UNK-CYC-68f84b31-75
0.282
DAV-SYG-f22c749d-7
0.282
DAV-SYG-f22c749d-4
0.282
HUB-UNK-9845d277-9
0.280
HUB-UNK-9845d277-5
0.276
HUB-UNK-9845d277-7
0.276
MAR-LAB-ff9967db-2
0.276
HUB-UNK-9845d277-12
0.275
MAR-LAB-ff9967db-1
0.273
ALP-POS-c59291d4-7
0.273
JIA-UNI-9972d268-2
0.273
DAV-SYG-f22c749d-10
0.267
AAR-POS-fca48359-12
0.264
FAR-UNI-9a76d7b5-1
0.264
DAV-SYG-f22c749d-6
0.263
BAR-COM-4e090d3a-19
0.262
DAV-SYG-f22c749d-12
0.259
YUN-WES-64c64eb2-3
0.258
HUB-UNK-9845d277-10
0.258
YUN-WES-58b0dbae-10
0.258
JIA-UNI-9972d268-1
0.256
JIM-PRI-216d613d-1
0.250
YIA-UNI-f2fa0570-1
0.250
MAK-UNK-1bb0b7ee-13
0.250
ABH-HOE-1cbf6cd9-4
0.248
MAK-UNK-f983951f-5
0.245
MAR-TRE-87acfbcc-18
0.244
JUS-UNI-57125a42-1
0.244
VAL-UNK-82caa8e7-1
0.242
LAU-FAC-e2c8b4ad-1
0.240
JAN-GHE-86445305-1
0.238
JOO-IND-9269dfbd-2
0.237
DRA-CSI-47e38074-4
0.235
NIM-UNI-bb9030bf-10
0.232
MAK-UNK-a7992eb3-21
0.232
ABH-HOE-1cbf6cd9-3
0.230
ABH-HOE-1cbf6cd9-1
0.229
MAD-UNK-1cc096ab-1
0.228
MAD-UNK-3bd48932-1
0.228
MAD-UNK-d7ec037c-3
0.228
VAL-ASS-c8151e3f-1
0.228
MAD-UNK-4169353f-1
0.228
MAD-UNK-d7ec037c-1
0.228
MAR-TRE-f6f5f473-80
0.228
PAU-UNI-6d15a9f5-7
0.226
MAK-UNK-b2c98f02-1
0.226
MAR-SOS-82e3a7c7-2
0.224
MAR-SOS-c7881798-3
0.224
MAK-UNK-a7992eb3-26
0.224
MAK-UNK-194150d3-11
0.223
ABH-HOE-1cbf6cd9-2
0.223
DAV-SYG-f22c749d-3
0.222
PAU-UNI-6d15a9f5-6
0.222
DAV-SYG-f22c749d-8
0.222
PAU-UNI-6d15a9f5-5
0.221
SHA-THE-408e7524-8
0.221
NIM-UNI-36e12f95-2
0.218
MAR-SOS-82e3a7c7-11
0.218
MAR-SOS-c7881798-1
0.218
GIA-UNK-595fac82-5
0.217
SAL-INS-68b48d12-4
0.217
VAL-ASS-db6a4353-1
0.217
JIG-UNK-11bede03-3
0.216
ALE-UNK-fca05062-2
0.216
BOW-UNK-ca7e31b7-1
0.216