Molecular Properties | |
SMILES: | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O |
MW: | 455.515 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 6 |
Rotatable Bonds: | 12 |
TPSA: | 166.63 |
cLogP: | 1.35677 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Aliphatic long chain
imine
imine
carbamate, CBZ Protected
carbamate include di-substitued N
Imine 3
Long aliphatic chain
Dipeptide
FAR-UNI-9a76d7b5-1
1.000
SAL-INS-68b48d12-3
0.693
SAL-INS-68b48d12-11
0.658
SAL-INS-a5f8a8b9-1
0.614
FAR-UNI-a04c1544-1
0.587
SAL-INS-68b48d12-1
0.576
FAR-UNI-124f5ee8-1
0.575
SAL-INS-68b48d12-5
0.525
BAR-COM-4e090d3a-19
0.494
ABH-HOE-1cbf6cd9-1
0.479
SAL-INS-68b48d12-4
0.460
ABH-HOE-1cbf6cd9-2
0.452
SAL-INS-68b48d12-12
0.449
ABH-HOE-1cbf6cd9-4
0.438
SHA-THE-408e7524-9
0.429
SAL-INS-a5f8a8b9-2
0.427
SAL-INS-68b48d12-9
0.422
SAL-INS-68b48d12-2
0.417
SAL-INS-68b48d12-7
0.370
MAT-POS-bfefc3ea-3
0.367
MAT-POS-bfefc3ea-2
0.364
SAL-INS-68b48d12-6
0.360
JUA-UNI-b93289a4-6
0.354
JUA-UNI-a9dfaed1-6
0.353
ABH-HOE-1cbf6cd9-3
0.347
MAK-UNK-f983951f-5
0.342
JOH-MSK-8ad0fd05-1
0.337
MAR-TRE-87acfbcc-53
0.333
JOH-MSK-46727e7b-1
0.330
JUS-UNI-57125a42-1
0.320
MAK-UNK-c44f4be0-10
0.316
SHA-THE-408e7524-8
0.312
ARI-TAT-5792557e-28
0.311
MAK-UNK-27459e11-12
0.308
MAK-UNK-f983951f-22
0.304
MAR-SOS-82e3a7c7-11
0.301
MAR-SOS-c7881798-1
0.301
MAR-TRE-e86a56b5-55
0.295
VAL-ASS-c8151e3f-1
0.292
UNK-CYC-68f84b31-75
0.290
PAU-UNI-6d15a9f5-4
0.286
ARI-TAT-5792557e-29
0.283
OLE-CAR-5b17bec5-8
0.281
MAR-TRE-4f39ef4a-68
0.281
MAK-UNK-c44f4be0-9
0.279
PAU-UNI-6d15a9f5-6
0.279
SAL-INS-68b48d12-10
0.277
SHA-THE-408e7524-10
0.276
BAR-COM-4e090d3a-7
0.273
MAK-UNK-f983951f-13
0.269
MAR-TRE-e86a56b5-69
0.267
MAR-SOS-82e3a7c7-12
0.267
MAR-SOS-c7881798-4
0.267
MAR-TRE-87acfbcc-18
0.267
MAR-SOS-82e3a7c7-10
0.265
MAR-SOS-c7881798-11
0.265
MAR-TRE-e86a56b5-47
0.265
OLE-CAR-5b17bec5-10
0.264
OLE-CAR-5b17bec5-9
0.264
NIC-BIO-a68395b7-4
0.263
MAR-SOS-c7881798-7
0.263
MAR-SOS-82e3a7c7-4
0.263
MAR-TRE-e86a56b5-66
0.261
JAN-GHE-f375bf5b-1
0.261
SAL-INS-68b48d12-8
0.261
SIM-TAK-0ea87db9-1
0.260
DRA-CSI-47e38074-4
0.258
MAK-UNK-c44f4be0-8
0.257
MAR-TRE-e86a56b5-31
0.256
MAR-TRE-e86a56b5-41
0.253
NIC-BIO-3276ca7f-7
0.253
MAR-SOS-c7881798-12
0.252
MAR-SOS-82e3a7c7-3
0.252
VAL-UNK-82caa8e7-1
0.252
MAK-UNK-c44f4be0-7
0.252
MAK-UNK-a7992eb3-26
0.250
MAK-UNK-27459e11-5
0.250
MAR-TRE-8a25d817-83
0.250
MAR-TRE-87acfbcc-51
0.250
MAK-UNK-c44f4be0-4
0.250
MAK-UNK-c44f4be0-11
0.250
MAK-UNK-c44f4be0-14
0.248
MAR-TRE-e86a56b5-98
0.247
NIM-UNI-ed9fc491-3
0.245
MAK-UNK-9955b1f3-12
0.244
SHA-THE-408e7524-16
0.244
SER-UNI-400afb01-4
0.243
ALP-POS-8df010a9-1
0.243
VOL-CHA-d666e5ae-2
0.242
AAR-POS-d2a4d1df-16
0.242
YIA-UNI-71f25a82-2
0.241
MAK-UNK-c44f4be0-3
0.241
MAR-TRE-e86a56b5-45
0.241
MAR-TRE-e86a56b5-62
0.241
BAR-COM-4e090d3a-36
0.240
MAR-TRE-92684b97-51
0.239
ARI-TAT-5792557e-4
0.239
YIA-UNI-71f25a82-1
0.239
UNK-CYC-68f84b31-52
0.239
ALE-UNK-fca05062-6
0.238