Molecular Properties | |
SMILES: | CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)C(=O)N[C@@H](CCCNC(N)=O)C(N)=O |
MW: | 537.574 |
Fraction sp3: | 0.48 |
HBA: | 8 |
HBD: | 9 |
Rotatable Bonds: | 16 |
TPSA: | 255.07 |
cLogP: | -3.89339999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-14
SAL-INS-68b48d12-4
0.969
SAL-INS-a5f8a8b9-2
0.769
SAL-INS-68b48d12-2
0.756
SAL-INS-68b48d12-6
0.708
SAL-INS-68b48d12-10
0.618
SAL-INS-68b48d12-11
0.571
SAL-INS-68b48d12-3
0.524
SAL-INS-68b48d12-8
0.495
SAL-INS-a5f8a8b9-1
0.452
FAR-UNI-9a76d7b5-1
0.449
AAR-POS-fca48359-12
0.449
SAL-INS-68b48d12-5
0.407
ABH-HOE-1cbf6cd9-4
0.407
SAL-INS-68b48d12-1
0.406
ABH-HOE-1cbf6cd9-1
0.402
FAR-UNI-a04c1544-1
0.395
JUA-UNI-b93289a4-6
0.383
SHA-THE-408e7524-9
0.373
ABH-HOE-1cbf6cd9-2
0.369
MAK-UNK-c44f4be0-10
0.368
JUA-UNI-a9dfaed1-6
0.365
ABH-HOE-1cbf6cd9-3
0.356
SAL-INS-68b48d12-9
0.352
FAR-UNI-124f5ee8-1
0.351
MAK-UNK-f983951f-22
0.351
AAR-POS-d2a4d1df-16
0.341
JUS-UNI-57125a42-1
0.330
MAK-UNK-a7992eb3-18
0.327
JAN-GHE-f375bf5b-1
0.325
SHA-THE-408e7524-10
0.324
ARI-TAT-5792557e-28
0.322
SHA-THE-408e7524-8
0.321
MAK-UNK-a7992eb3-26
0.315
MAK-UNK-c44f4be0-1
0.315
MAK-UNK-c44f4be0-7
0.311
MAK-UNK-a7992eb3-29
0.310
MAR-TRE-e86a56b5-58
0.308
MAK-UNK-27459e11-12
0.304
MAK-UNK-c44f4be0-2
0.303
NIC-BIO-3276ca7f-7
0.302
NIC-BIO-a68395b7-4
0.301
MAK-UNK-c44f4be0-9
0.301
MAR-SOS-82e3a7c7-4
0.299
MAR-SOS-c7881798-7
0.299
MAR-SOS-c7881798-1
0.298
MAR-SOS-82e3a7c7-11
0.298
ARI-TAT-5792557e-29
0.293
MAK-UNK-a7992eb3-27
0.293
MAK-UNK-a7992eb3-28
0.293
MAK-UNK-c44f4be0-8
0.290
BAR-COM-4e090d3a-19
0.289
NIC-BIO-7d400292-1
0.287
SER-UNI-400afb01-4
0.287
BAR-COM-4e090d3a-7
0.283
VOL-CHA-d666e5ae-2
0.280
MAR-TRE-e86a56b5-69
0.279
NIM-UNI-ed9fc491-3
0.279
MAR-TRE-e86a56b5-55
0.278
NIC-BIO-3276ca7f-4
0.277
MAR-SOS-82e3a7c7-12
0.277
MAR-SOS-c7881798-4
0.277
ALP-POS-8df010a9-1
0.275
NIC-BIO-a68395b7-5
0.275
NIC-BIO-a68395b7-3
0.275
MAR-SOS-82e3a7c7-3
0.275
MAR-SOS-c7881798-12
0.275
MAK-UNK-a7992eb3-30
0.274
NIC-BIO-3276ca7f-2
0.273
MAK-UNK-10799360-26
0.272
MAK-UNK-c44f4be0-11
0.271
MAR-SOS-82e3a7c7-5
0.267
MAR-SOS-c7881798-10
0.267
NIC-BIO-a68395b7-2
0.266
ALE-UNK-fca05062-6
0.265
PAU-UNI-6d15a9f5-4
0.265
MAR-TRE-4f39ef4a-67
0.264
NIM-UNI-ed9fc491-4
0.264
ANT-DIA-b7f58f21-4
0.263
MAR-SOS-82e3a7c7-10
0.263
BAR-COM-4e090d3a-36
0.263
MAR-SOS-c7881798-11
0.263
MAR-TRE-e86a56b5-63
0.263
MAR-TRE-fffca54f-96
0.263
NIC-BIO-b40446ce-2
0.262
PRA-UNK-95a569ae-1
0.262
NIM-UNI-ed9fc491-1
0.260
MAK-UNK-a7992eb3-21
0.259
MAK-UNK-c44f4be0-4
0.259
MAR-TRE-e86a56b5-98
0.259
PAU-UNI-6d15a9f5-6
0.259
NIC-BIO-7d400292-3
0.257
BAR-COM-4e090d3a-56
0.257
NIM-UNI-ed9fc491-2
0.257
SHA-THE-408e7524-16
0.257
MAK-UNK-c44f4be0-14
0.257
MAK-UNK-a7992eb3-3
0.256
MAK-UNK-9955b1f3-12
0.256
NIC-BIO-a68395b7-1
0.255
AAR-POS-d2a4d1df-43
0.253
MAR-TRE-e86a56b5-64
0.253