Molecular Properties | |
SMILES: | CN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(C(N)=O)C1 |
MW: | 301.35 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 95.32 |
cLogP: | -0.2667 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-20
NIC-BIO-ec630548-2
0.795
NIC-BIO-ec630548-3
0.773
NIC-BIO-29f4a211-1
0.693
NIC-BIO-29f4a211-2
0.688
NIC-BIO-ec630548-1
0.688
NIC-BIO-96ee2ca4-1
0.651
NIC-BIO-f814dd3d-1
0.616
GAB-FRA-261eb2a6-1
0.600
MAK-UNK-10572812-6
0.600
SAD-SAT-f25ee457-10
0.598
NIC-BIO-96ee2ca4-2
0.587
AAR-POS-d2a4d1df-20
0.571
NIC-BIO-25446079-2
0.564
NIC-BIO-25446079-4
0.531
MAR-TRE-3159af1a-37
0.523
IND-SYN-6c8299e8-5
0.512
IND-SYN-3aa4e743-1
0.512
MAR-TRE-3159af1a-66
0.494
SAD-SAT-f25ee457-5
0.494
MAR-TRE-3159af1a-2
0.489
SWA-SYN-6423ea73-10
0.489
SWA-SYN-d2e6fa14-9
0.489
MAR-TRE-3159af1a-40
0.489
NIC-BIO-25446079-3
0.488
MAR-TRE-3159af1a-90
0.472
MAR-TRE-3159af1a-70
0.463
ASH-UNK-40b46b30-18
0.443
SWA-SYN-6423ea73-4
0.436
SWA-SYN-d2e6fa14-4
0.436
SAD-SAT-f25ee457-6
0.436
NIC-BIO-25446079-1
0.435
TAM-UNI-c140e31a-5
0.433
MAK-UNK-10572812-7
0.429
ASH-UNK-40b46b30-14
0.427
MAR-TRE-3159af1a-16
0.420
TAM-UNI-c140e31a-8
0.420
MAK-UNK-10572812-9
0.415
MAK-UNK-b1917cc8-5
0.412
MAR-TRE-3159af1a-9
0.412
TAM-UNI-c140e31a-4
0.410
MAK-UNK-10572812-2
0.409
MAR-TRE-3159af1a-8
0.407
KAL-WAB-eb347ebe-1
0.405
TAM-UNI-c140e31a-18
0.402
TAM-UNI-c140e31a-17
0.402
MAR-UCB-195bc32d-13
0.395
TRY-UNI-1fd04853-8
0.393
DAR-DIA-23aa0b97-12
0.393
MAR-TRE-3159af1a-33
0.393
MAR-TRE-3159af1a-76
0.391
TRY-UNI-1fd04853-7
0.391
MAK-UNK-de8f6d00-2
0.390
ANT-DIA-3c79be55-1
0.389
ZAC-WAB-d55a3c2e-1
0.388
ZAC-WAB-2baeb60f-1
0.388
MAK-UNK-10572812-8
0.387
MAR-TRE-3159af1a-84
0.385
MAK-UNK-de8f6d00-8
0.385
MAK-UNK-de8f6d00-3
0.385
MAK-UNK-de8f6d00-1
0.381
MAK-UNK-10572812-1
0.381
MAK-UNK-10572812-10
0.381
MAK-UNK-10572812-11
0.378
MAR-TRE-3159af1a-41
0.376
RED-RED-10c9212c-49
0.376
SID-ELM-1f105489-9
0.375
MAK-UNK-10572812-13
0.375
MAK-UNK-de8f6d00-7
0.374
TRY-UNI-1fd04853-5
0.374
TRY-UNI-1fd04853-11
0.374
MAK-UNK-de8f6d00-5
0.370
TRY-UNI-1fd04853-9
0.370
MAK-UNK-10572812-12
0.369
DAR-DIA-23aa0b97-2
0.368
MAK-UNK-de8f6d00-6
0.367
MAR-TRE-3159af1a-24
0.362
TRY-UNI-1fd04853-12
0.362
DAR-DIA-23aa0b97-1
0.362
TRY-UNI-1fd04853-6
0.362
NIC-BIO-5044b423-1
0.359
MAR-TRE-3159af1a-75
0.356
TRY-UNI-1fd04853-10
0.354
ANT-DIA-3c79be55-3
0.354
NIC-BIO-174c9b04-1
0.352
NIC-BIO-2722da07-1
0.351
MAR-TRE-3159af1a-44
0.349
PET-SGC-fc67af9f-1
0.348
SID-ELM-1f105489-1
0.344
MAR-TRE-3159af1a-1
0.343
MAR-TRE-3159af1a-99
0.343
NIC-BIO-174c9b04-2
0.341
NIC-BIO-3276ca7f-1
0.340
NAU-LAT-81109c57-7
0.340
MAR-TRE-3159af1a-43
0.337
MAR-TRE-3159af1a-21
0.336
MAR-UCB-195bc32d-10
0.333
ZAC-WAB-86e8bacf-1
0.333
TAM-UNI-c140e31a-9
0.330
IND-SYN-6c8299e8-4
0.330
NIC-BIO-3276ca7f-4
0.327