Molecular Properties | |
SMILES: | CN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(Cc2ccccc2)C1 |
MW: | 348.45 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 52.23 |
cLogP: | 2.4907 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2476683952 |
Enamine Extended REAL: | s_22____11687886____7024784 |
AAR-POS-d2a4d1df-20
NIC-BIO-ec630548-1
0.756
NIC-BIO-29f4a211-2
0.734
NIC-BIO-96ee2ca4-1
0.694
NIC-BIO-96ee2ca4-2
0.663
NIC-BIO-ec630548-2
0.643
NIC-BIO-29f4a211-1
0.634
GAB-FRA-261eb2a6-1
0.624
NIC-BIO-ec630548-4
0.616
NIC-BIO-ec630548-3
0.609
SAD-SAT-f25ee457-10
0.553
MAR-TRE-3159af1a-66
0.538
AAR-POS-d2a4d1df-20
0.524
NIC-BIO-25446079-2
0.500
MAR-TRE-3159af1a-37
0.500
MAK-UNK-10572812-6
0.491
NIC-BIO-25446079-4
0.472
IND-SYN-3aa4e743-1
0.471
IND-SYN-6c8299e8-5
0.471
MAR-TRE-3159af1a-90
0.468
MAR-TRE-3159af1a-40
0.468
SAD-SAT-f25ee457-5
0.457
MAR-TRE-3159af1a-2
0.455
NIC-BIO-25446079-3
0.451
SWA-SYN-d2e6fa14-9
0.439
SWA-SYN-6423ea73-10
0.439
ASH-UNK-40b46b30-18
0.413
MAR-TRE-3159af1a-9
0.411
SAD-SAT-f25ee457-6
0.407
MAR-TRE-3159af1a-8
0.407
TAM-UNI-c140e31a-5
0.404
MAR-TRE-3159af1a-70
0.404
NIC-BIO-25446079-1
0.402
MAK-UNK-de8f6d00-8
0.398
NIC-BIO-3276ca7f-4
0.398
MAK-UNK-b1917cc8-5
0.396
MAK-UNK-de8f6d00-1
0.394
MAR-TRE-3159af1a-33
0.394
MAK-UNK-de8f6d00-6
0.393
MAR-TRE-3159af1a-16
0.393
SWA-SYN-d2e6fa14-4
0.392
SWA-SYN-6423ea73-4
0.392
MAK-UNK-10572812-7
0.392
MAK-UNK-10572812-9
0.389
KAL-WAB-eb347ebe-1
0.389
MAR-TRE-3159af1a-24
0.389
MAK-UNK-10572812-8
0.388
MAK-UNK-de8f6d00-7
0.387
TAM-UNI-c140e31a-8
0.380
MAR-UCB-195bc32d-13
0.379
TRY-UNI-1fd04853-8
0.379
DAR-DIA-23aa0b97-12
0.379
MAR-TRE-3159af1a-76
0.378
TRY-UNI-1fd04853-7
0.376
ASH-UNK-40b46b30-14
0.375
ANT-DIA-3c79be55-1
0.375
TRY-UNI-1fd04853-5
0.375
MAK-UNK-10572812-2
0.373
MAK-UNK-de8f6d00-3
0.373
MAR-TRE-3159af1a-84
0.373
TAM-UNI-c140e31a-4
0.370
MAK-UNK-de8f6d00-2
0.366
MAK-UNK-10572812-13
0.364
TRY-UNI-1fd04853-6
0.364
MAR-TRE-3159af1a-41
0.364
TAM-UNI-c140e31a-17
0.364
TAM-UNI-c140e31a-18
0.364
ZAC-WAB-d55a3c2e-1
0.362
ZAC-WAB-2baeb60f-1
0.362
MAK-UNK-de8f6d00-5
0.360
MAK-UNK-10572812-1
0.358
MAK-UNK-10572812-10
0.358
DAR-DIA-23aa0b97-2
0.356
NIC-BIO-3276ca7f-1
0.356
MAK-UNK-10572812-11
0.356
MAR-TRE-3159af1a-21
0.351
RED-RED-10c9212c-49
0.350
DAR-DIA-23aa0b97-1
0.350
TRY-UNI-1fd04853-12
0.350
MAK-UNK-10572812-12
0.347
SID-ELM-1f105489-9
0.347
TRY-UNI-1fd04853-11
0.347
MAR-TRE-3159af1a-1
0.345
MAR-TRE-3159af1a-75
0.345
MAR-TRE-3159af1a-99
0.345
TRY-UNI-1fd04853-9
0.343
MAR-TRE-3159af1a-44
0.339
MAR-UCB-195bc32d-10
0.337
NIC-UNI-f08e2453-1
0.333
ANT-DIA-3c79be55-3
0.330
TRY-UNI-1fd04853-10
0.330
PET-SGC-fc67af9f-1
0.328
DOU-UNK-b5326f8f-15
0.325
NIC-BIO-3276ca7f-6
0.324
JON-UNI-57097b3f-2
0.323
TAM-UNI-c140e31a-9
0.322
NIC-BIO-3276ca7f-5
0.321
NIC-BIO-5044b423-1
0.320
NAU-LAT-81109c57-7
0.319
NIC-BIO-174c9b04-2
0.316
NIC-BIO-2722da07-1
0.314