Molecular Properties | |
SMILES: | NC(Cc1c[nH]c2ncccc12)C(=O)O |
MW: | 205.09 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 92.0 |
cLogP: | 0.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5682942023 |
MolPort: | MolPort-001-768-325 |
amino acid
NIC-BIO-3276ca7f-1
0.521
NIC-BIO-3276ca7f-4
0.521
MAR-TRE-3159af1a-9
0.485
NIC-BIO-3276ca7f-5
0.481
MAK-UNK-b1917cc8-5
0.464
NIC-BIO-3276ca7f-6
0.463
MAR-TRE-3159af1a-8
0.457
TRY-UNI-1fd04853-7
0.457
KAL-WAB-eb347ebe-1
0.456
NIC-BIO-25446079-1
0.451
NIC-BIO-25446079-2
0.451
MAR-TRE-3159af1a-33
0.438
TRY-UNI-1fd04853-8
0.438
AAR-POS-d2a4d1df-20
0.437
IND-SYN-3aa4e743-1
0.437
IND-SYN-6c8299e8-5
0.437
TRY-UNI-1fd04853-6
0.434
MAR-TRE-3159af1a-41
0.434
MAR-TRE-3159af1a-76
0.434
RED-RED-10c9212c-49
0.434
TRY-UNI-1fd04853-5
0.432
TRY-UNI-1fd04853-11
0.432
TRY-UNI-1fd04853-9
0.427
DAR-DIA-23aa0b97-12
0.419
NIC-BIO-25446079-4
0.419
TRY-UNI-1fd04853-12
0.416
ANT-DIA-3c79be55-1
0.413
NIC-BIO-25446079-3
0.413
MAR-TRE-3159af1a-66
0.407
JON-UNI-57097b3f-2
0.406
TRY-UNI-1fd04853-10
0.405
NIC-BIO-29f4a211-2
0.405
NIC-BIO-ec630548-1
0.405
SAD-SAT-f25ee457-5
0.403
NIC-BIO-29f4a211-1
0.403
MAR-TRE-3159af1a-37
0.400
MAR-TRE-3159af1a-40
0.400
MAR-TRE-3159af1a-90
0.400
NIC-BIO-ec630548-2
0.400
DAR-DIA-23aa0b97-1
0.397
NIC-BIO-ec630548-4
0.395
MAR-TRE-3159af1a-84
0.390
NIC-BIO-96ee2ca4-1
0.388
MAR-UCB-195bc32d-4
0.388
DAR-DIA-23aa0b97-2
0.388
SWA-SYN-d2e6fa14-9
0.386
SWA-SYN-6423ea73-10
0.386
MAR-UCB-195bc32d-10
0.384
MAR-TRE-3159af1a-70
0.379
NIC-BIO-f814dd3d-1
0.379
ZAC-WAB-d55a3c2e-1
0.376
ZAC-WAB-2baeb60f-1
0.376
NIC-BIO-ec630548-3
0.373
MAR-TRE-3159af1a-1
0.371
MAR-TRE-3159af1a-99
0.371
ANT-DIA-3c79be55-3
0.369
NAU-LAT-81109c57-7
0.367
NIC-BIO-96ee2ca4-2
0.366
MAR-TRE-3159af1a-58
0.365
SWA-SYN-6423ea73-4
0.365
SWA-SYN-d2e6fa14-4
0.365
TAM-UNI-c140e31a-5
0.364
MAR-TRE-3159af1a-24
0.363
MAR-TRE-3159af1a-2
0.360
ASH-UNK-40b46b30-18
0.360
ZAC-WAB-86e8bacf-1
0.360
MAR-TRE-3159af1a-75
0.356
TAM-UNI-c140e31a-4
0.356
TAM-UNI-c140e31a-8
0.352
MAR-TRE-3159af1a-72
0.351
SAD-SAT-f25ee457-10
0.348
TAM-UNI-c140e31a-17
0.348
MAR-TRE-3159af1a-21
0.348
MAR-TRE-3159af1a-44
0.348
TAM-UNI-c140e31a-18
0.348
MAK-UNK-de8f6d00-7
0.347
SHR-UNK-cde60afe-1
0.347
PET-SGC-fc67af9f-1
0.347
GAB-FRA-261eb2a6-1
0.344
MAK-UNK-de8f6d00-8
0.344
MAR-TRE-f5c2d31c-47
0.342
MAR-TRE-3159af1a-69
0.341
SAD-SAT-f25ee457-6
0.340
MAK-UNK-de8f6d00-1
0.340
TAM-UNI-c140e31a-9
0.340
TAM-UNI-c140e31a-19
0.338
MAR-TRE-3159af1a-67
0.337
MAR-TRE-3159af1a-16
0.337
MAK-UNK-10572812-9
0.337
MAK-UNK-10572812-13
0.337
ASH-UNK-40b46b30-14
0.333
DUN-NEW-f8ce3686-6
0.333
MAR-TRE-3159af1a-36
0.333
MAK-UNK-10572812-2
0.333
MAK-UNK-10572812-12
0.330
MAK-UNK-de8f6d00-3
0.330
MAK-UNK-10572812-11
0.327
MAK-UNK-de8f6d00-6
0.327
NIC-BIO-5044b423-1
0.325
SID-ELM-1f105489-9
0.325