Molecular Properties | |
SMILES: | CC(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)NCc1cccc(Cl)c1 |
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-5
0.734
NIC-BIO-3276ca7f-4
0.718
TRY-UNI-1fd04853-5
0.633
NIC-BIO-3276ca7f-1
0.614
NIC-BIO-a68395b7-4
0.518
NIC-BIO-7d400292-3
0.483
MAR-UCB-195bc32d-13
0.463
DAR-DIA-23aa0b97-12
0.455
NIC-BIO-3276ca7f-7
0.444
TRY-UNI-1fd04853-6
0.435
TRY-UNI-1fd04853-7
0.420
NIC-BIO-b40446ce-2
0.414
TRY-UNI-1fd04853-9
0.413
MAR-TRE-3159af1a-9
0.393
MAR-TRE-74c6519b-79
0.388
TRY-UNI-1fd04853-11
0.387
MAR-TRE-3159af1a-21
0.374
MAR-TRE-3159af1a-99
0.368
NIC-BIO-3276ca7f-2
0.365
NAU-LAT-81109c57-7
0.364
MAR-UCB-195bc32d-10
0.363
MAK-UNK-b1917cc8-5
0.363
TRY-UNI-1fd04853-8
0.362
MAR-TRE-3159af1a-33
0.362
MAR-TRE-3159af1a-8
0.359
MAR-TRE-3159af1a-84
0.356
KAL-WAB-eb347ebe-1
0.356
MAR-TRE-4b834d9a-22
0.355
NIC-BIO-25446079-1
0.355
MAR-TRE-4b834d9a-10
0.349
MAK-UNK-10572812-2
0.347
DAR-DIA-23aa0b97-1
0.347
MAR-TRE-3159af1a-41
0.347
RED-RED-10c9212c-49
0.347
MAR-TRE-4b834d9a-12
0.346
AAR-POS-d2a4d1df-20
0.344
NIC-BIO-25446079-3
0.344
MAR-TRE-3159af1a-1
0.343
NIM-NMI-8bb27a2b-14
0.342
JIN-POS-6dc588a4-19
0.340
MAT-POS-bb423b95-6
0.340
JOH-UNI-6fede743-3
0.340
TRY-UNI-1fd04853-10
0.340
NIC-BIO-b40446ce-1
0.340
AAR-UNI-c25c2f1e-78
0.337
AGN-NEW-c7b24fe3-5
0.337
DAR-DIA-6a49afbe-1
0.337
JIN-POS-6dc588a4-2
0.337
MAR-TRE-f6f5f473-96
0.336
EDG-MED-0da5ad92-14
0.333
JON-UNI-57097b3f-2
0.333
TRY-UNI-1fd04853-12
0.333
DOU-UNK-b5326f8f-15
0.333
MAK-UNK-10572812-12
0.333
ZAC-WAB-d55a3c2e-1
0.333
ZAC-WAB-2baeb60f-1
0.333
NIC-BIO-25446079-4
0.333
MAK-UNK-10572812-11
0.331
MAR-TRE-b77b7921-8
0.330
NIC-BIO-ec630548-3
0.330
NIC-BIO-3276ca7f-3
0.330
ANT-DIA-3c79be55-1
0.330
IND-SYN-3aa4e743-1
0.330
IND-SYN-6c8299e8-5
0.330
NIC-BIO-a68395b7-3
0.330
EDG-MED-0da5ad92-2
0.330
NIM-NMI-8bb27a2b-27
0.327
ANT-DIA-3c79be55-3
0.327
DAR-DIA-23aa0b97-2
0.327
NIC-BIO-29f4a211-2
0.327
NIC-BIO-ec630548-1
0.327
MAT-POS-3b92565d-13
0.327
MAT-POS-f7918075-3
0.327
MIC-UNK-08cd9c58-1
0.327
NAU-LAT-a5c7d7cb-10
0.326
EDJ-MED-c8e7a002-11
0.326
NIC-BIO-25446079-2
0.326
EDG-MED-0da5ad92-18
0.326
SHR-UNK-cde60afe-1
0.325
MAR-TRE-3159af1a-44
0.324
MAR-TRE-3159af1a-24
0.324
MAR-TRE-3159af1a-70
0.324
NIC-BIO-f814dd3d-1
0.324
MAR-TRE-3159af1a-37
0.324
NIC-BIO-29f4a211-1
0.323
NIC-BIO-7d400292-2
0.323
ALP-POS-76eab5ce-2
0.323
AGN-NEW-c7b24fe3-4
0.323
EDG-MED-0da5ad92-13
0.322
MAR-TRE-d0525fbf-6
0.321
MAR-TRE-4b834d9a-66
0.321
ZAC-WAB-86e8bacf-1
0.321
MAR-TRE-3159af1a-76
0.320
EDJ-MED-c8e7a002-14
0.320
ALP-POS-6495d03e-7
0.320
JAN-GHE-83b26c96-16
0.319
MAR-TRE-3159af1a-75
0.318
NIC-BIO-96ee2ca4-1
0.318
BEN-BAS-bb561ced-1
0.317
DOU-UNK-b5326f8f-17
0.317