Molecular Properties | |
SMILES: | CC1CN(C)CCN1C(=O)Cc1c[nH]c2ncccc12 |
MW: | 272.352 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 52.23 |
cLogP: | 1.2679 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_22____4545080____7024784 |
AAR-POS-d2a4d1df-20
NIC-BIO-29f4a211-2
0.712
NIC-BIO-ec630548-1
0.712
NIC-BIO-ec630548-2
0.703
NIC-BIO-ec630548-4
0.693
NIC-BIO-ec630548-3
0.684
NIC-BIO-96ee2ca4-1
0.650
SAD-SAT-f25ee457-10
0.634
NIC-BIO-f814dd3d-1
0.634
AAR-POS-d2a4d1df-20
0.611
GAB-FRA-261eb2a6-1
0.598
NIC-BIO-96ee2ca4-2
0.584
MAR-TRE-3159af1a-37
0.575
NIC-BIO-25446079-2
0.560
IND-SYN-6c8299e8-5
0.547
IND-SYN-3aa4e743-1
0.547
NIC-BIO-25446079-4
0.545
MAR-TRE-3159af1a-40
0.537
SAD-SAT-f25ee457-5
0.525
MAR-TRE-3159af1a-66
0.524
NIC-BIO-25446079-3
0.519
MAR-TRE-3159af1a-2
0.517
MAK-UNK-10572812-6
0.505
MAR-TRE-3159af1a-90
0.500
SWA-SYN-6423ea73-10
0.500
SWA-SYN-d2e6fa14-9
0.500
SAD-SAT-f25ee457-6
0.474
NIC-BIO-25446079-1
0.463
SWA-SYN-d2e6fa14-4
0.461
SWA-SYN-6423ea73-4
0.461
MAR-TRE-3159af1a-70
0.457
ASH-UNK-40b46b30-18
0.452
TAM-UNI-c140e31a-8
0.442
MAR-TRE-3159af1a-16
0.442
TAM-UNI-c140e31a-5
0.441
MAR-TRE-3159af1a-9
0.438
MAK-UNK-b1917cc8-5
0.438
MAR-TRE-3159af1a-8
0.432
KAL-WAB-eb347ebe-1
0.430
ASH-UNK-40b46b30-14
0.420
MAK-UNK-de8f6d00-3
0.418
MAK-UNK-de8f6d00-8
0.418
DAR-DIA-23aa0b97-12
0.417
TRY-UNI-1fd04853-8
0.417
MAR-TRE-3159af1a-33
0.417
TAM-UNI-c140e31a-4
0.417
TRY-UNI-1fd04853-7
0.415
MAK-UNK-de8f6d00-1
0.414
ANT-DIA-3c79be55-1
0.412
MAK-UNK-de8f6d00-2
0.410
MAK-UNK-10572812-7
0.409
ZAC-WAB-2baeb60f-1
0.409
ZAC-WAB-d55a3c2e-1
0.409
TAM-UNI-c140e31a-17
0.408
TAM-UNI-c140e31a-18
0.408
MAK-UNK-10572812-9
0.408
MAR-TRE-3159af1a-84
0.407
MAK-UNK-de8f6d00-7
0.406
MAR-UCB-195bc32d-13
0.403
MAK-UNK-10572812-2
0.402
MAK-UNK-10572812-10
0.398
MAK-UNK-de8f6d00-6
0.398
MAR-TRE-3159af1a-41
0.398
MAR-TRE-3159af1a-76
0.398
RED-RED-10c9212c-49
0.398
SID-ELM-1f105489-9
0.398
MAK-UNK-10572812-11
0.396
TRY-UNI-1fd04853-5
0.395
TRY-UNI-1fd04853-11
0.395
MAK-UNK-10572812-13
0.393
TRY-UNI-1fd04853-9
0.391
DAR-DIA-23aa0b97-2
0.389
MAK-UNK-de8f6d00-5
0.388
MAK-UNK-10572812-12
0.387
MAK-UNK-10572812-1
0.385
DAR-DIA-23aa0b97-1
0.382
TRY-UNI-1fd04853-6
0.382
TRY-UNI-1fd04853-12
0.382
MAK-UNK-10572812-8
0.380
MAR-TRE-3159af1a-75
0.374
TRY-UNI-1fd04853-10
0.374
ANT-DIA-3c79be55-3
0.372
NIC-BIO-174c9b04-1
0.372
MAR-TRE-3159af1a-24
0.366
SID-ELM-1f105489-1
0.365
NIC-BIO-5044b423-1
0.364
NIC-BIO-174c9b04-2
0.360
MAR-TRE-3159af1a-99
0.360
MAR-TRE-3159af1a-1
0.360
MAR-TRE-3159af1a-93
0.360
NIC-BIO-3276ca7f-1
0.359
NAU-LAT-81109c57-7
0.356
MAR-TRE-3159af1a-21
0.353
MAR-TRE-3159af1a-44
0.353
MAR-TRE-3159af1a-74
0.352
PET-SGC-fc67af9f-1
0.352
ZAC-WAB-86e8bacf-1
0.350
NIC-BIO-3276ca7f-4
0.344
SID-ELM-1f105489-3
0.341
NIC-BIO-2722da07-1
0.340
MAR-TRE-3159af1a-19
0.340