Molecular Properties | |
SMILES: | CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=O)C(N)=O |
MW: | 507.548 |
Fraction sp3: | 0.45 |
HBA: | 7 |
HBD: | 8 |
Rotatable Bonds: | 15 |
TPSA: | 234.84 |
cLogP: | -3.25429999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-14
SAL-INS-68b48d12-2
0.835
SAL-INS-68b48d12-4
0.789
SAL-INS-68b48d12-12
0.769
SAL-INS-68b48d12-6
0.600
SAL-INS-68b48d12-8
0.559
SAL-INS-a5f8a8b9-1
0.554
ABH-HOE-1cbf6cd9-1
0.525
SAL-INS-68b48d12-1
0.505
SAL-INS-68b48d12-10
0.505
ABH-HOE-1cbf6cd9-2
0.481
ABH-HOE-1cbf6cd9-3
0.480
SAL-INS-68b48d12-11
0.458
SAL-INS-68b48d12-3
0.447
AAR-POS-fca48359-12
0.427
FAR-UNI-9a76d7b5-1
0.427
ABH-HOE-1cbf6cd9-4
0.416
JUA-UNI-b93289a4-6
0.379
FAR-UNI-a04c1544-1
0.376
SHA-THE-408e7524-9
0.371
FAR-UNI-124f5ee8-1
0.364
SAL-INS-68b48d12-5
0.356
MAK-UNK-f983951f-22
0.349
JUA-UNI-a9dfaed1-6
0.333
SAL-INS-68b48d12-7
0.331
MAK-UNK-c44f4be0-10
0.327
JUS-UNI-57125a42-1
0.317
SHA-THE-408e7524-10
0.312
AAR-POS-d2a4d1df-16
0.312
ARI-TAT-5792557e-28
0.309
MAK-UNK-a7992eb3-18
0.306
MAK-UNK-c44f4be0-1
0.304
JAN-GHE-f375bf5b-1
0.303
NIC-BIO-a68395b7-4
0.303
PRA-UNK-95a569ae-1
0.301
MAK-UNK-a7992eb3-26
0.294
SAL-INS-68b48d12-9
0.294
MAK-UNK-c44f4be0-2
0.293
MAK-UNK-c44f4be0-8
0.292
NIC-BIO-3276ca7f-7
0.291
SHA-THE-408e7524-8
0.289
MAK-UNK-c44f4be0-7
0.288
MAK-UNK-a7992eb3-29
0.287
MAK-UNK-a7992eb3-27
0.283
MAR-TRE-e86a56b5-55
0.281
MAK-UNK-c44f4be0-9
0.279
MAR-TRE-e86a56b5-58
0.279
BAR-COM-4e090d3a-19
0.279
NIC-BIO-7d400292-1
0.277
NIC-BIO-b40446ce-2
0.277
MAR-SOS-82e3a7c7-4
0.276
MAR-SOS-c7881798-7
0.276
MAK-UNK-27459e11-12
0.276
MAR-SOS-82e3a7c7-11
0.275
MAR-SOS-c7881798-1
0.275
MAK-UNK-a7992eb3-28
0.271
ARI-TAT-5792557e-29
0.271
ALE-UNK-fca05062-6
0.270
NIC-BIO-3276ca7f-4
0.269
ALP-POS-8df010a9-1
0.267
SER-UNI-400afb01-4
0.267
MAK-UNK-a7992eb3-30
0.267
NIC-BIO-a68395b7-5
0.265
NIC-BIO-a68395b7-3
0.265
MAK-UNK-c44f4be0-4
0.263
NIC-BIO-7d400292-3
0.262
BAR-COM-4e090d3a-7
0.262
NIM-UNI-ed9fc491-3
0.259
NIC-BIO-a68395b7-2
0.257
MAR-TRE-e86a56b5-69
0.255
MAR-SOS-c7881798-12
0.255
MAR-SOS-82e3a7c7-3
0.255
MAT-POS-bfefc3ea-3
0.254
NIM-UNI-ed9fc491-1
0.252
NIC-BIO-3276ca7f-2
0.252
MAK-UNK-c44f4be0-11
0.252
MAK-UNK-c44f4be0-14
0.250
NIM-UNI-ed9fc491-2
0.250
PAU-UNI-6d15a9f5-4
0.250
MAR-SOS-82e3a7c7-5
0.248
MAR-SOS-c7881798-10
0.248
NIC-BIO-a68395b7-1
0.248
NIM-UNI-ed9fc491-4
0.246
MAK-UNK-c44f4be0-5
0.246
MAR-SOS-82e3a7c7-12
0.245
MAR-SOS-c7881798-4
0.245
VOL-CHA-d666e5ae-2
0.245
PAU-UNI-6d15a9f5-6
0.245
YIA-UNI-71f25a82-2
0.244
MAK-UNK-a7992eb3-11
0.244
MAK-UNK-10799360-26
0.244
MAK-UNK-c44f4be0-3
0.244
BAR-COM-4e090d3a-36
0.243
TRY-UNI-9f475305-11
0.243
MAR-TRE-4f39ef4a-67
0.242
PRA-UNK-c22cca29-1
0.242
MAK-UNK-a7992eb3-21
0.242
MAK-UNK-a7992eb3-3
0.241
LAU-FAC-e2c8b4ad-1
0.240
MAK-UNK-27459e11-5
0.239
NIC-BIO-3276ca7f-3
0.239