Molecular Properties | |
SMILES: | CC(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)NCc1ccc(Cl)cc1 |
MW: | 370.84 |
Fraction sp3: | 0.21 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 86.88 |
cLogP: | 2.5799 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-16
NIC-BIO-3276ca7f-4
0.770
NIC-BIO-3276ca7f-6
0.734
NIC-BIO-3276ca7f-1
0.637
TRY-UNI-1fd04853-7
0.584
NIC-BIO-a68395b7-3
0.494
MAR-UCB-195bc32d-13
0.481
NIC-BIO-3276ca7f-7
0.477
NIC-BIO-7d400292-2
0.459
TRY-UNI-1fd04853-5
0.448
DAR-DIA-23aa0b97-12
0.420
TRY-UNI-1fd04853-8
0.420
TRY-UNI-1fd04853-11
0.416
MAR-TRE-74c6519b-79
0.415
NIC-BIO-b40446ce-2
0.412
MAR-TRE-3159af1a-9
0.407
TRY-UNI-1fd04853-9
0.396
KAL-WAB-eb347ebe-1
0.384
NIC-BIO-3276ca7f-2
0.376
MAK-UNK-b1917cc8-5
0.375
TRY-UNI-1fd04853-6
0.372
MAR-TRE-3159af1a-8
0.371
MAR-TRE-3159af1a-84
0.367
NIC-BIO-25446079-1
0.367
MAR-TRE-3159af1a-99
0.365
NAU-LAT-81109c57-7
0.362
JON-UNI-57097b3f-2
0.360
MAR-TRE-3159af1a-33
0.359
DAR-DIA-23aa0b97-1
0.358
RED-RED-10c9212c-49
0.358
MAR-TRE-3159af1a-41
0.358
NIC-BIO-a68395b7-5
0.356
AAR-POS-d2a4d1df-20
0.356
NIC-BIO-25446079-3
0.355
NIC-BIO-a68395b7-4
0.352
MAR-TRE-3159af1a-70
0.346
NIC-BIO-a68395b7-2
0.344
NIC-BIO-25446079-4
0.344
TRY-UNI-1fd04853-12
0.344
NIC-BIO-7d400292-3
0.344
IND-SYN-3aa4e743-1
0.341
IND-SYN-6c8299e8-5
0.341
ANT-DIA-3c79be55-1
0.340
MAK-UNK-10572812-11
0.339
NIC-BIO-25446079-2
0.337
TRY-UNI-1fd04853-10
0.337
NIC-BIO-29f4a211-2
0.337
NIC-BIO-ec630548-1
0.337
MAR-TRE-3159af1a-24
0.333
MAR-TRE-3159af1a-44
0.333
MAK-UNK-10572812-2
0.333
NIC-BIO-29f4a211-1
0.333
MAR-TRE-3159af1a-76
0.330
MAR-UCB-195bc32d-10
0.330
MAR-TRE-3159af1a-1
0.327
NIC-BIO-96ee2ca4-1
0.327
NIC-BIO-ec630548-3
0.327
MAR-TRE-3159af1a-66
0.327
NIC-BIO-b40446ce-1
0.324
ANT-DIA-3c79be55-3
0.324
DAR-DIA-23aa0b97-2
0.323
SHR-UNK-cde60afe-1
0.321
TAM-UNI-c140e31a-18
0.321
MAR-TRE-3159af1a-21
0.321
NIC-BIO-f814dd3d-1
0.321
MAR-TRE-3159af1a-37
0.320
NIC-BIO-ec630548-2
0.320
MAR-TRE-3159af1a-40
0.320
SAD-SAT-f25ee457-5
0.320
MAK-UNK-10572812-12
0.319
LON-WEI-adc59df6-20
0.318
MAR-TRE-3159af1a-2
0.318
ZAC-WAB-2baeb60f-1
0.317
ZAC-WAB-d55a3c2e-1
0.317
NIC-BIO-ec630548-4
0.317
NIM-NMI-8bb27a2b-13
0.315
SAD-SAT-f25ee457-6
0.315
MAR-TRE-4b834d9a-4
0.315
MAR-TRE-3159af1a-75
0.315
NIC-BIO-3276ca7f-3
0.314
MAK-UNK-10572812-13
0.314
MAR-TRE-3159af1a-16
0.312
MAR-TRE-4b834d9a-6
0.311
SWA-SYN-6423ea73-10
0.311
SWA-SYN-d2e6fa14-9
0.311
TAM-UNI-c140e31a-17
0.309
MAR-TRE-4b834d9a-5
0.308
MAK-UNK-10572812-1
0.308
DOU-UNK-b5326f8f-15
0.308
SWA-SYN-d2e6fa14-4
0.308
SWA-SYN-6423ea73-4
0.308
SAL-INS-68b48d12-8
0.308
MAR-TRE-3159af1a-90
0.307
ZAC-WAB-86e8bacf-1
0.306
ASH-UNK-40b46b30-18
0.306
MAR-TRE-3159af1a-72
0.305
TAM-UNI-c140e31a-9
0.304
SAL-INS-68b48d12-10
0.304
MAK-UNK-de8f6d00-1
0.304
AAR-UNI-c25c2f1e-51
0.303
NIM-NMI-8bb27a2b-28
0.303