Molecular Properties | |
SMILES: | COC(=O)CC(NC(C)=O)C(=O)Nc1cccnc1 |
MW: | 265.11 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 97.39 |
cLogP: | 0.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
Long aliphatic chain
Dipeptide
JOH-IMS-62aeb97d-2
0.477
MAR-TRE-74c6519b-79
0.468
JOH-IMS-62aeb97d-5
0.448
MAK-UNK-ca11b4f7-3
0.431
MAR-TRE-2fd8122f-97
0.419
MAR-TRE-67513f76-81
0.414
KEI-TRE-d5e2018a-27
0.408
MAR-TRE-7f7bb9f0-16
0.408
MED-UNK-e6e8ef8a-7
0.406
MED-UNK-e6e8ef8a-1
0.406
ASH-UNK-40b46b30-13
0.403
KEI-TRE-d5e2018a-81
0.400
MAK-UNK-ca11b4f7-1
0.400
ADA-UNI-f8e79267-4
0.400
MAR-TRE-2fd8122f-45
0.392
ADA-UNI-f8e79267-5
0.392
KEI-TRE-d5e2018a-69
0.385
MAK-UNK-ca11b4f7-2
0.383
MAR-TRE-2fd8122f-50
0.383
AUS-ARG-7cfdce8f-11
0.382
PET-SGC-b0f8bd49-1
0.382
PET-SGC-d0156db4-1
0.382
BEN-DND-362d364a-12
0.382
DRE-WAB-ae4a693c-1
0.382
MAR-TRE-67513f76-32
0.382
KEI-TRE-d5e2018a-99
0.382
ADA-UNI-f8e79267-1
0.380
KEI-TRE-d5e2018a-55
0.380
MAR-TRE-3e4e6814-93
0.378
MAR-TRE-9c797165-24
0.378
KEI-TRE-d5e2018a-42
0.377
MAR-TRE-7f7bb9f0-49
0.375
MAR-TRE-2fd8122f-69
0.373
WIL-UNI-5578df48-4
0.373
MAR-TRE-7f7bb9f0-90
0.373
MAK-UNK-a7b37c5e-1
0.371
MAK-UNK-c749d764-17
0.371
MAR-TRE-2fd8122f-67
0.371
MAK-UNK-c749d764-9
0.370
KEI-TRE-d5e2018a-43
0.370
MAR-TRE-67513f76-93
0.370
KEI-TRE-d5e2018a-67
0.369
MAR-TRE-9c797165-52
0.368
MAR-TRE-2fd8122f-27
0.368
ADA-UNI-f8e79267-2
0.367
SAD-SAT-689b7d5a-5
0.367
MED-UNK-e6e8ef8a-5
0.366
KEI-TRE-d5e2018a-34
0.366
KEI-TRE-d5e2018a-80
0.366
ZAC-WAB-3baddbb3-1
0.366
ZAC-WAB-d55a3c2e-2
0.366
ADA-UNI-f8e79267-10
0.366
WIL-UNI-5578df48-22
0.365
MAR-TRE-d0525fbf-91
0.365
SAD-SAT-689b7d5a-10
0.364
KEI-TRE-d5e2018a-17
0.364
ASH-UNK-40b46b30-3
0.364
ALE-HEI-f28a35b5-14
0.364
ALE-HEI-f28a35b5-15
0.364
MAR-TRE-74c6519b-51
0.362
MAK-UNK-c749d764-7
0.362
MAK-UNK-a7b37c5e-2
0.361
MED-UNK-e6e8ef8a-3
0.361
MAR-TRE-74c6519b-47
0.360
AAR-POS-d2a4d1df-11
0.359
SAD-SAT-689b7d5a-8
0.359
SAN-PRS-52b81272-2
0.358
SAN-PRS-52b81272-3
0.358
DAR-DIA-842b4336-1
0.358
ADA-UNI-f8e79267-11
0.358
KEI-TRE-d5e2018a-24
0.358
BAR-COM-5694a99d-2
0.358
MAR-TRE-7f7bb9f0-18
0.358
KEI-TRE-d5e2018a-15
0.358
MAK-UNK-d1e89583-4
0.357
DAR-DIA-842b4336-10
0.357
MAK-UNK-c749d764-27
0.356
MAR-TRE-2fd8122f-75
0.356
MAR-TRE-3e4e6814-50
0.355
JIA-UNI-12b1f9ae-1
0.355
CHA-MCP-85291e1d-1
0.354
SAD-SAT-24589cd1-4
0.353
DAR-DIA-23aa0b97-16
0.352
MAK-UNK-2c1752f0-4
0.351
EMI-TUK-a58865cc-5
0.351
MAR-TRE-f6f5f473-84
0.351
KEI-TRE-d5e2018a-40
0.350
KEI-TRE-d5e2018a-25
0.350
MAR-TRE-2fd8122f-90
0.350
KEI-TRE-d5e2018a-29
0.350
MAR-TRE-3e4e6814-6
0.349
MAR-TRE-2fd8122f-51
0.349
ADA-UNI-f8e79267-7
0.349
MAK-UNK-a7b37c5e-4
0.348
MAK-UNK-d1e89583-1
0.348
DAR-DIA-842b4336-2
0.348
ALE-HEI-f28a35b5-5
0.347
MED-UNK-e6e8ef8a-6
0.347
EDG-MED-0da5ad92-2
0.347
DAR-DIA-842b4336-11
0.347