Molecular Properties | |
SMILES: | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)O |
MW: | 555.636 |
Fraction sp3: | 0.37 |
HBA: | 7 |
HBD: | 9 |
Rotatable Bonds: | 16 |
TPSA: | 232.75 |
cLogP: | -1.40632999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
imine
imine
Imine 3
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-14
SAL-INS-68b48d12-11
0.912
SAL-INS-a5f8a8b9-1
0.750
SAL-INS-68b48d12-1
0.750
SAL-INS-68b48d12-5
0.724
AAR-POS-fca48359-12
0.693
FAR-UNI-9a76d7b5-1
0.693
SAL-INS-68b48d12-9
0.565
SAL-INS-68b48d12-4
0.537
SAL-INS-68b48d12-12
0.524
ABH-HOE-1cbf6cd9-1
0.516
ABH-HOE-1cbf6cd9-4
0.485
ABH-HOE-1cbf6cd9-2
0.485
SAL-INS-68b48d12-7
0.485
SHA-THE-408e7524-9
0.461
SAL-INS-68b48d12-2
0.452
SAL-INS-a5f8a8b9-2
0.447
SAL-INS-68b48d12-6
0.415
FAR-UNI-a04c1544-1
0.405
JUS-UNI-57125a42-1
0.380
ABH-HOE-1cbf6cd9-3
0.378
FAR-UNI-124f5ee8-1
0.374
SHA-THE-408e7524-8
0.352
JUA-UNI-b93289a4-6
0.341
JUA-UNI-a9dfaed1-6
0.341
BAR-COM-4e090d3a-19
0.323
MAK-UNK-c44f4be0-10
0.320
SAL-INS-68b48d12-10
0.315
ARI-TAT-5792557e-28
0.315
MAK-UNK-27459e11-12
0.312
MAK-UNK-f983951f-22
0.308
PAU-UNI-6d15a9f5-4
0.308
MAR-TRE-87acfbcc-53
0.307
MAR-SOS-c7881798-1
0.304
MAR-SOS-82e3a7c7-11
0.304
SHA-THE-408e7524-10
0.304
MAR-TRE-e86a56b5-98
0.296
ARI-TAT-5792557e-29
0.286
SAL-INS-68b48d12-8
0.284
MAR-TRE-e86a56b5-55
0.284
MAR-TRE-e86a56b5-47
0.284
MAR-SOS-82e3a7c7-12
0.283
MAR-SOS-c7881798-4
0.283
PAU-UNI-6d15a9f5-6
0.281
MAR-SOS-c7881798-7
0.278
MAR-SOS-82e3a7c7-4
0.278
BAR-COM-4e090d3a-7
0.276
SHA-THE-408e7524-16
0.275
MAR-TRE-e86a56b5-31
0.274
JAN-GHE-f375bf5b-1
0.274
MAR-TRE-e86a56b5-69
0.271
MAR-TRE-4f39ef4a-68
0.270
MAK-UNK-c44f4be0-9
0.269
MAR-SOS-82e3a7c7-10
0.268
MAR-SOS-c7881798-11
0.268
MAR-SOS-c7881798-12
0.267
MAR-SOS-82e3a7c7-3
0.267
MAR-TRE-e86a56b5-66
0.264
YIA-UNI-71f25a82-1
0.264
MAK-UNK-9955b1f3-12
0.261
SHA-THE-408e7524-23
0.261
MAR-TRE-e86a56b5-62
0.259
MAR-TRE-e86a56b5-81
0.259
MAK-UNK-c44f4be0-7
0.255
MAK-UNK-27459e11-5
0.253
MAT-POS-bfefc3ea-2
0.253
MAR-TRE-f6f5f473-80
0.250
MAK-UNK-c44f4be0-8
0.248
VAL-ASS-c8151e3f-1
0.248
MAR-SOS-c7881798-9
0.248
MAR-SOS-82e3a7c7-9
0.248
PRA-UNK-c22cca29-1
0.248
MAR-SOS-82e3a7c7-5
0.248
MAR-SOS-c7881798-10
0.248
SHA-THE-408e7524-3
0.247
PAU-UNI-6d15a9f5-5
0.246
SER-UNI-400afb01-4
0.245
ALP-POS-8df010a9-1
0.245
VOL-CHA-d666e5ae-2
0.245
MAR-TRE-e86a56b5-45
0.244
MAK-UNK-10799360-26
0.243
YIA-UNI-71f25a82-2
0.243
MAT-POS-bfefc3ea-3
0.243
NIC-BIO-3276ca7f-7
0.242
MAR-TRE-92684b97-51
0.242
MAK-UNK-c44f4be0-4
0.241
NEL-UNI-1464a899-4
0.241
ALE-UNK-fca05062-6
0.241
MAK-UNK-c44f4be0-11
0.241
NIC-BIO-a68395b7-4
0.240
MAR-TRE-e86a56b5-67
0.239
MAK-UNK-c44f4be0-14
0.238
MAK-UNK-ec98eaf6-49
0.238
BAR-COM-4e090d3a-56
0.238
MAR-TRE-e86a56b5-63
0.237
MAK-UNK-27459e11-4
0.237
MAR-TRE-fffca54f-96
0.237
NIM-UNI-ed9fc491-3
0.236
PRA-UNK-95a569ae-1
0.236
NIM-UNI-ed9fc491-4
0.234
WIL-UNI-1faa9b10-51
0.234