Molecular Properties | |
SMILES: | NCCCC(NC(=O)C(Cc1ccccc1)NC(=O)CN)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(C=O)CO |
MW: | 611.7 |
Fraction sp3: | 0.4 |
HBA: | 9 |
HBD: | 8 |
Rotatable Bonds: | 19 |
TPSA: | 234.84 |
cLogP: | -2.58399999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aldehyde
aldehyde
Aldehydes
Filter38_aldehyde
aldehyde
aldehyde
Long aliphatic chain
Dipeptide
Aldehyde
AAR-POS-d2a4d1df-1
ABH-HOE-1cbf6cd9-1
0.807
ABH-HOE-1cbf6cd9-2
0.728
ABH-HOE-1cbf6cd9-4
0.574
SAL-INS-a5f8a8b9-2
0.480
SAL-INS-a5f8a8b9-1
0.464
SAL-INS-68b48d12-1
0.449
SAL-INS-68b48d12-2
0.440
SAL-INS-68b48d12-3
0.378
SAL-INS-68b48d12-4
0.364
SAL-INS-68b48d12-11
0.363
SAL-INS-68b48d12-12
0.356
JUA-UNI-b93289a4-6
0.352
FAR-UNI-a04c1544-1
0.351
AAR-POS-fca48359-12
0.347
FAR-UNI-9a76d7b5-1
0.347
FAR-UNI-124f5ee8-1
0.340
SHA-THE-408e7524-9
0.339
JUA-UNI-a9dfaed1-6
0.323
MAK-UNK-f983951f-22
0.306
SAL-INS-68b48d12-5
0.303
SHA-THE-408e7524-8
0.303
ARI-TAT-5792557e-28
0.299
BAR-COM-4e090d3a-19
0.294
MAT-POS-bfefc3ea-2
0.293
SAL-INS-68b48d12-6
0.293
MAR-SOS-82e3a7c7-11
0.290
MAR-SOS-c7881798-1
0.290
SAL-INS-68b48d12-7
0.289
PRA-UNK-95a569ae-1
0.287
SAL-INS-68b48d12-8
0.285
MAK-UNK-c44f4be0-10
0.280
MAR-TRE-e86a56b5-62
0.276
ARI-TAT-5792557e-29
0.274
JOH-MSK-8ad0fd05-1
0.265
BAR-COM-4e090d3a-7
0.264
MAR-TRE-e86a56b5-56
0.261
JUS-UNI-57125a42-1
0.259
MAR-SOS-82e3a7c7-12
0.259
MAR-SOS-c7881798-4
0.259
SER-UNI-400afb01-4
0.259
MAR-TRE-e86a56b5-55
0.258
MAR-SOS-82e3a7c7-4
0.255
MAR-SOS-c7881798-7
0.255
JAN-GHE-f375bf5b-1
0.254
MAK-UNK-27459e11-12
0.250
ALP-POS-8df010a9-1
0.248
MAK-UNK-c44f4be0-9
0.248
ALE-UNK-fca05062-6
0.244
PAU-UNI-6d15a9f5-4
0.243
MAK-UNK-c44f4be0-8
0.239
VAL-ASS-c8151e3f-1
0.239
MAR-SOS-82e3a7c7-5
0.239
MAR-SOS-c7881798-10
0.239
MAK-UNK-a7992eb3-18
0.236
MAT-POS-bfefc3ea-3
0.235
MAR-SOS-c7881798-12
0.234
MAR-SOS-82e3a7c7-3
0.234
MAR-SOS-c7881798-11
0.234
MAR-SOS-82e3a7c7-10
0.234
BAR-COM-4e090d3a-36
0.234
SHA-THE-408e7524-17
0.233
MAK-UNK-c44f4be0-11
0.233
PAU-UNI-6d15a9f5-6
0.230
OLE-CAR-5b17bec5-10
0.230
SIM-TAK-0ea87db9-1
0.226
PRA-UNK-c22cca29-1
0.226
MAK-UNK-c44f4be0-7
0.224
NIC-BIO-b40446ce-2
0.224
SAL-INS-68b48d12-9
0.224
CHA-KIN-bfe9b535-8
0.223
SHA-THE-408e7524-23
0.223
NIC-BIO-3276ca7f-7
0.222
PAU-UNI-6d15a9f5-5
0.221
NIC-BIO-a68395b7-4
0.219
MAR-TRE-e86a56b5-69
0.219
BAR-COM-4e090d3a-56
0.218
SAL-INS-68b48d12-10
0.218
MAK-UNK-a7992eb3-30
0.218
MAR-TRE-f6f5f473-80
0.217
YIA-UNI-71f25a82-2
0.216
PRA-UNK-35958606-1
0.216
MAK-UNK-27459e11-5
0.215
UNK-CYC-68f84b31-3
0.215
YUN-WES-64c64eb2-2
0.215
YUN-WES-58b0dbae-7
0.215
NIC-BIO-3276ca7f-4
0.214
MAR-TRE-e86a56b5-66
0.214
MAK-UNK-a7992eb3-26
0.214
WIL-UNI-1faa9b10-51
0.214
JAN-GHE-86445305-2
0.213
ARI-TAT-5792557e-4
0.213
GIA-UNK-3f36037a-5
0.213
MAR-SOS-c7881798-6
0.212
MAR-SOS-82e3a7c7-6
0.212
JOH-MSK-46727e7b-1
0.211
MAR-SOS-c7881798-2
0.211
MAR-SOS-82e3a7c7-1
0.211
AAR-POS-d2a4d1df-16
0.210
MAR-TRE-92684b97-51
0.208
NIC-BIO-7d400292-1
0.208