Molecular Properties | |
SMILES: | CN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(CO)C1 |
MW: | 288.351 |
Fraction sp3: | 0.47 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 72.46 |
cLogP: | 0.240299999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_22____12129594____7024784 |
AAR-POS-d2a4d1df-20
NIC-BIO-29f4a211-2
0.829
NIC-BIO-f814dd3d-1
0.756
NIC-BIO-96ee2ca4-1
0.753
NIC-BIO-29f4a211-1
0.712
GAB-FRA-261eb2a6-1
0.711
NIC-BIO-ec630548-2
0.697
NIC-BIO-96ee2ca4-2
0.694
NIC-BIO-ec630548-4
0.688
NIC-BIO-ec630548-3
0.679
SAD-SAT-f25ee457-10
0.612
AAR-POS-d2a4d1df-20
0.587
MAR-TRE-3159af1a-66
0.560
NIC-BIO-25446079-2
0.538
MAR-TRE-3159af1a-37
0.536
IND-SYN-6c8299e8-5
0.526
IND-SYN-3aa4e743-1
0.526
NIC-BIO-25446079-4
0.525
SAD-SAT-f25ee457-5
0.506
MAK-UNK-10572812-6
0.505
MAR-TRE-3159af1a-2
0.500
NIC-BIO-25446079-3
0.500
MAR-TRE-3159af1a-40
0.500
ASH-UNK-40b46b30-18
0.484
SWA-SYN-d2e6fa14-9
0.483
SWA-SYN-6423ea73-10
0.483
MAR-TRE-3159af1a-90
0.483
NIC-BIO-25446079-1
0.463
TAM-UNI-c140e31a-5
0.457
SWA-SYN-d2e6fa14-4
0.446
SWA-SYN-6423ea73-4
0.446
SAD-SAT-f25ee457-6
0.444
MAR-TRE-3159af1a-70
0.442
MAK-UNK-b1917cc8-5
0.439
TAM-UNI-c140e31a-8
0.429
MAR-TRE-3159af1a-16
0.429
MAR-TRE-3159af1a-9
0.422
ASH-UNK-40b46b30-14
0.422
TAM-UNI-c140e31a-4
0.418
MAR-TRE-3159af1a-8
0.417
KAL-WAB-eb347ebe-1
0.415
ZAC-WAB-d55a3c2e-1
0.411
ZAC-WAB-2baeb60f-1
0.411
TAM-UNI-c140e31a-17
0.410
TAM-UNI-c140e31a-18
0.410
MAK-UNK-de8f6d00-8
0.406
MAR-UCB-195bc32d-13
0.405
MAR-TRE-3159af1a-33
0.402
DAR-DIA-23aa0b97-12
0.402
TRY-UNI-1fd04853-8
0.402
MAK-UNK-de8f6d00-1
0.402
TRY-UNI-1fd04853-7
0.400
MAK-UNK-10572812-7
0.398
MAK-UNK-de8f6d00-2
0.398
ANT-DIA-3c79be55-1
0.398
MAK-UNK-10572812-9
0.396
MAK-UNK-de8f6d00-7
0.394
MAR-TRE-3159af1a-84
0.394
MAK-UNK-de8f6d00-3
0.392
MAK-UNK-10572812-2
0.391
MAK-UNK-10572812-10
0.387
MAK-UNK-de8f6d00-6
0.387
MAK-UNK-10572812-11
0.385
MAR-TRE-3159af1a-76
0.385
MAR-TRE-3159af1a-41
0.385
RED-RED-10c9212c-49
0.385
TRY-UNI-1fd04853-12
0.385
SID-ELM-1f105489-9
0.384
TRY-UNI-1fd04853-5
0.382
TRY-UNI-1fd04853-11
0.382
MAK-UNK-10572812-13
0.382
MAK-UNK-10572812-8
0.382
TRY-UNI-1fd04853-9
0.378
MAK-UNK-de8f6d00-5
0.377
DAR-DIA-23aa0b97-2
0.376
MAK-UNK-10572812-12
0.376
MAK-UNK-10572812-1
0.375
TRY-UNI-1fd04853-6
0.370
DAR-DIA-23aa0b97-1
0.370
MAR-TRE-3159af1a-24
0.369
PET-SGC-fc67af9f-1
0.367
NIC-BIO-5044b423-1
0.367
MAR-TRE-3159af1a-75
0.363
NIC-BIO-3276ca7f-1
0.362
NIC-BIO-3276ca7f-4
0.362
TRY-UNI-1fd04853-10
0.362
ANT-DIA-3c79be55-3
0.361
ZAC-WAB-86e8bacf-1
0.353
MAR-TRE-3159af1a-1
0.350
MAR-TRE-3159af1a-99
0.350
NIC-BIO-174c9b04-2
0.348
NAU-LAT-81109c57-7
0.346
NIC-BIO-174c9b04-1
0.344
MAR-TRE-3159af1a-44
0.343
MAR-TRE-3159af1a-21
0.343
DOU-UNK-b5326f8f-15
0.339
SID-ELM-1f105489-1
0.337
NIC-BIO-3276ca7f-5
0.337
TAM-UNI-c140e31a-9
0.336
MAR-TRE-3159af1a-93
0.333
SID-UNK-90efdc9b-1
0.331