Molecular Properties | |
SMILES: | CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)CN)C(=O)NC(Cc1ccccc1)C(=O)NC(C=O)CO |
MW: | 709.849 |
Fraction sp3: | 0.46 |
HBA: | 9 |
HBD: | 10 |
Rotatable Bonds: | 22 |
TPSA: | 270.72 |
cLogP: | -1.64492999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aldehyde
aldehyde
Aliphatic long chain
imine
imine
Aldehydes
Filter38_aldehyde
aldehyde
Imine 3
aldehyde
Long aliphatic chain
Dipeptide
Aldehyde
AAR-POS-d2a4d1df-1
ABH-HOE-1cbf6cd9-1
0.719
ABH-HOE-1cbf6cd9-2
0.657
ABH-HOE-1cbf6cd9-3
0.574
SAL-INS-68b48d12-3
0.485
SAL-INS-a5f8a8b9-1
0.467
SAL-INS-68b48d12-11
0.467
SAL-INS-68b48d12-1
0.440
AAR-POS-fca48359-12
0.438
FAR-UNI-9a76d7b5-1
0.438
SAL-INS-a5f8a8b9-2
0.416
SAL-INS-68b48d12-4
0.415
SAL-INS-68b48d12-12
0.407
SHA-THE-408e7524-9
0.395
SAL-INS-68b48d12-2
0.395
SAL-INS-68b48d12-5
0.392
PRA-UNK-95a569ae-1
0.343
SAL-INS-68b48d12-6
0.338
FAR-UNI-a04c1544-1
0.327
FAR-UNI-124f5ee8-1
0.319
JUA-UNI-b93289a4-6
0.314
YIA-UNI-f2fa0570-1
0.312
MAT-POS-bfefc3ea-2
0.312
PRA-UNK-c22cca29-1
0.306
ARI-TAT-5792557e-28
0.306
SAL-INS-68b48d12-9
0.302
SAL-INS-68b48d12-7
0.295
JUA-UNI-a9dfaed1-6
0.290
SHA-THE-408e7524-10
0.287
MAK-UNK-f983951f-22
0.286
SHA-THE-408e7524-8
0.278
PAU-UNI-6d15a9f5-4
0.276
PAU-UNI-6d15a9f5-6
0.270
BAR-COM-4e090d3a-19
0.267
JOH-MSK-8ad0fd05-1
0.264
MAR-SOS-c7881798-1
0.263
MAR-SOS-82e3a7c7-11
0.263
SAL-INS-68b48d12-8
0.263
JUS-UNI-57125a42-1
0.258
SAL-INS-68b48d12-10
0.258
BAR-COM-4e090d3a-7
0.252
ARI-TAT-5792557e-29
0.250
VAL-ASS-c8151e3f-1
0.250
MAK-UNK-27459e11-12
0.250
OLE-CAR-5b17bec5-10
0.248
PRA-UNK-35958606-1
0.246
MAK-UNK-c44f4be0-10
0.246
BAR-COM-4e090d3a-36
0.246
MAR-TRE-e86a56b5-55
0.245
ALE-UNK-fca05062-6
0.245
SIM-TAK-0ea87db9-1
0.245
SHA-THE-408e7524-23
0.243
MAR-SOS-c7881798-4
0.238
MAR-SOS-82e3a7c7-12
0.238
MAT-POS-bfefc3ea-3
0.236
OLE-CAR-5b17bec5-8
0.236
JAN-GHE-f375bf5b-1
0.236
MAR-TRE-e86a56b5-62
0.235
MAR-TRE-e86a56b5-56
0.235
SHA-THE-408e7524-16
0.234
MAR-SOS-c7881798-7
0.233
MAR-SOS-82e3a7c7-4
0.233
PAU-UNI-6d15a9f5-5
0.231
ALP-POS-8df010a9-1
0.229
MAK-UNK-c44f4be0-9
0.228
YIA-UNI-71f25a82-2
0.228
OLE-CAR-5b17bec5-9
0.224
MAR-TRE-4f39ef4a-68
0.223
SHA-THE-408e7524-7
0.223
MAK-UNK-c44f4be0-8
0.221
ALP-POS-8ed8d9ec-11
0.221
CUN-WAB-25b584ee-1
0.221
PAU-UNI-6d15a9f5-7
0.221
MAR-TRE-87acfbcc-53
0.219
MAK-UNK-27459e11-5
0.219
MAK-UNK-c44f4be0-7
0.217
ALP-POS-a3de0cb1-6
0.216
MAR-SOS-c7881798-12
0.216
MAR-SOS-82e3a7c7-3
0.216
CHA-KIN-bfe9b535-5
0.216
MAR-SOS-c7881798-11
0.215
MAR-SOS-82e3a7c7-10
0.215
JOH-MSK-46727e7b-1
0.215
MIC-UNK-2744a8e2-14
0.215
STE-KUL-d79e3d6a-4
0.215
MAT-POS-b5746674-62
0.213
LAU-FAC-e2c8b4ad-1
0.212
CHA-KIN-bfe9b535-3
0.211
MAK-UNK-a7992eb3-18
0.211
NIM-UNI-ed9fc491-3
0.211
SER-UNI-400afb01-4
0.211
MAR-TRE-a3327163-36
0.210
MAR-SOS-c7881798-10
0.210
MAR-SOS-82e3a7c7-5
0.210
MAK-UNK-a7992eb3-27
0.210
NEL-UNI-1464a899-4
0.210
ALE-UNK-fca05062-7
0.209
MAK-UNK-a7992eb3-26
0.209
MAK-UNK-0955449e-2
0.208
MAK-UNK-c44f4be0-4
0.207
CHA-KIN-bfe9b535-8
0.207