Molecular Properties | |
SMILES: | CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O |
MW: | 403.21 |
Fraction sp3: | 0.52 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 10 |
TPSA: | 113.6 |
cLogP: | 1.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aldehyde
aldehyde
Aldehydes
Filter38_aldehyde
aldehyde
carbamate, CBZ Protected
carbamate include di-substitued N
aldehyde
Long aliphatic chain
Dipeptide
Aldehyde
JOH-MSK-46727e7b-1
0.682
OLE-CAR-5b17bec5-10
0.618
SIM-TAK-0ea87db9-1
0.590
OLE-CAR-5b17bec5-8
0.588
OLE-CAR-5b17bec5-9
0.545
NIC-UNK-21c5e845-3
0.510
MAT-POS-bfefc3ea-3
0.454
FAR-UNI-124f5ee8-1
0.446
NIC-UNK-21c5e845-4
0.437
MAT-POS-bfefc3ea-2
0.427
NIC-UNK-21c5e845-2
0.423
NIC-UNK-21c5e845-1
0.411
YUN-WES-58b0dbae-1
0.409
YUN-WES-58b0dbae-7
0.405
YUN-WES-64c64eb2-2
0.405
JAN-GHE-86445305-2
0.402
FAR-UNI-a04c1544-1
0.400
YUN-WES-64c64eb2-6
0.383
YUN-WES-58b0dbae-8
0.383
YUN-WES-64c64eb2-5
0.380
YUN-WES-58b0dbae-3
0.375
YUN-WES-58b0dbae-2
0.374
YUN-WES-64c64eb2-1
0.374
YUN-WES-58b0dbae-6
0.372
YUN-WES-85ecc354-1
0.372
YUN-WES-64c64eb2-4
0.362
YUN-WES-58b0dbae-9
0.362
YUN-WES-58b0dbae-4
0.354
ALP-POS-c59291d4-7
0.351
MAR-LAB-ff9967db-1
0.351
BAR-COM-4e090d3a-19
0.351
PRA-FNM-579d1514-1
0.346
YUN-WES-58b0dbae-5
0.344
JAN-GHE-f375bf5b-1
0.342
AAR-POS-fca48359-12
0.337
FAR-UNI-9a76d7b5-1
0.337
MAR-LAB-ff9967db-2
0.317
JIA-UNI-9972d268-1
0.311
UNK-CYC-68f84b31-75
0.306
JIA-UNI-9972d268-2
0.306
YUN-WES-64c64eb2-3
0.303
YUN-WES-58b0dbae-10
0.303
MAK-UNK-f983951f-5
0.298
HUB-UNK-9845d277-12
0.295
DRA-CSI-47e38074-4
0.293
HUB-UNK-9845d277-10
0.293
DAV-SYG-f22c749d-9
0.292
HUB-UNK-9845d277-9
0.290
HUB-UNK-9845d277-11
0.289
JIM-PRI-216d613d-1
0.287
HUB-UNK-9845d277-6
0.287
HUB-UNK-9845d277-5
0.286
HUB-UNK-9845d277-7
0.286
JUS-UNI-57125a42-1
0.286
HUB-UNK-9845d277-8
0.285
DAV-SYG-f22c749d-10
0.285
MAR-TRE-87acfbcc-18
0.274
DAV-SYG-f22c749d-7
0.273
SHA-THE-408e7524-8
0.273
JAN-GHE-86445305-1
0.271
VAL-UNK-82caa8e7-1
0.270
DAV-SYG-f22c749d-6
0.270
MAT-POS-b5746674-105
0.270
DAV-SYG-f22c749d-12
0.266
ABH-HOE-1cbf6cd9-3
0.265
ABH-HOE-1cbf6cd9-4
0.264
VAL-ASS-c8151e3f-1
0.263
JOO-IND-9269dfbd-2
0.263
ABH-HOE-1cbf6cd9-1
0.263
JUL-TUD-06b2044f-65
0.260
DAV-SYG-f22c749d-4
0.255
DAV-IMP-59dd6621-7
0.255
MAR-TRE-f6f5f473-80
0.255
JAN-GHE-86445305-3
0.254
ABH-HOE-1cbf6cd9-2
0.254
DRA-CSI-47e38074-3
0.253
VAL-ASS-db6a4353-1
0.248
UNK-CYC-68f84b31-70
0.246
LON-WEI-4d77710c-54
0.246
LON-WEI-5e7d1b3e-54
0.246
MAT-POS-b5746674-107
0.246
SAD-SAT-29425be4-29
0.245
LAU-FAC-e2c8b4ad-1
0.245
GIA-UNK-595fac82-5
0.245
DRA-CSI-47e38074-2
0.244
CLI-TLC-0c07150b-1
0.244
BEN-DND-09b88bf4-7
0.243
RAJ-NOV-842d5654-2
0.243
NIM-UNI-36e12f95-2
0.241
SAL-INS-68b48d12-4
0.241
RAJ-NOV-842d5654-4
0.240
ALE-UNK-fca05062-1
0.240
MAT-POS-0bc33984-1
0.240
HOL-KAN-13beedf0-1
0.238
SAD-SAT-c989feaa-4
0.238
MAR-SOS-c7881798-3
0.237
MAR-SOS-82e3a7c7-2
0.237
AAR-POS-fca48359-3
0.236
SAL-INS-68b48d12-12
0.236
DAV-UNI-bdcebb58-1
0.236