Molecular Properties | |
SMILES: | CNC1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1 |
MW: | 272.352 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 61.02 |
cLogP: | 1.3158 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2440272213 |
Enamine Extended REAL: | s_240690____16439366____7416416 |
AAR-POS-d2a4d1df-20
NIC-BIO-25446079-2
0.754
AAR-POS-d2a4d1df-20
0.687
IND-SYN-6c8299e8-5
0.662
IND-SYN-3aa4e743-1
0.662
SWA-SYN-d2e6fa14-9
0.636
SWA-SYN-6423ea73-10
0.636
SAD-SAT-f25ee457-5
0.608
NIC-BIO-25446079-3
0.581
MAR-TRE-3159af1a-40
0.557
MAR-TRE-3159af1a-90
0.557
SWA-SYN-d2e6fa14-4
0.549
SWA-SYN-6423ea73-4
0.549
NIC-BIO-29f4a211-1
0.545
NIC-BIO-ec630548-3
0.543
MAR-TRE-3159af1a-70
0.541
NIC-BIO-25446079-1
0.541
NIC-BIO-ec630548-2
0.537
MAR-TRE-3159af1a-37
0.537
NIC-BIO-ec630548-4
0.531
NIC-BIO-29f4a211-2
0.525
NIC-BIO-ec630548-1
0.525
MAR-TRE-3159af1a-16
0.523
MAK-UNK-de8f6d00-1
0.505
MAK-UNK-de8f6d00-2
0.500
NIC-BIO-96ee2ca4-1
0.500
MAK-UNK-de8f6d00-3
0.495
MAK-UNK-de8f6d00-8
0.495
TAM-UNI-c140e31a-5
0.489
SAD-SAT-f25ee457-10
0.489
MAR-TRE-3159af1a-66
0.488
MAR-TRE-3159af1a-2
0.483
MAK-UNK-de8f6d00-7
0.479
MAK-UNK-de8f6d00-5
0.474
MAK-UNK-b1917cc8-5
0.474
TAM-UNI-c140e31a-8
0.473
NIC-BIO-f814dd3d-1
0.472
MAK-UNK-10572812-12
0.469
MAK-UNK-de8f6d00-6
0.469
ASH-UNK-40b46b30-18
0.467
MAK-UNK-10572812-11
0.465
MAK-UNK-10572812-9
0.464
MAK-UNK-10572812-13
0.460
MAK-UNK-10572812-2
0.455
MAR-TRE-3159af1a-9
0.455
ZAC-WAB-d55a3c2e-1
0.455
ZAC-WAB-2baeb60f-1
0.455
TAM-UNI-c140e31a-17
0.452
TAM-UNI-c140e31a-18
0.452
MAK-UNK-10572812-1
0.451
MAK-UNK-10572812-10
0.451
MAR-TRE-3159af1a-8
0.449
ASH-UNK-40b46b30-14
0.448
KAL-WAB-eb347ebe-1
0.447
GAB-FRA-261eb2a6-1
0.447
TAM-UNI-c140e31a-4
0.446
MAK-UNK-10572812-8
0.446
NIC-BIO-96ee2ca4-2
0.438
MAR-TRE-3159af1a-84
0.437
MAR-TRE-3159af1a-33
0.432
TRY-UNI-1fd04853-8
0.432
TRY-UNI-1fd04853-7
0.430
MAR-TRE-3159af1a-76
0.429
SAD-SAT-f25ee457-6
0.427
ANT-DIA-3c79be55-1
0.427
TRY-UNI-1fd04853-9
0.422
MAK-UNK-10572812-7
0.421
MAR-UCB-195bc32d-13
0.419
DAR-DIA-23aa0b97-12
0.415
MAR-TRE-3159af1a-41
0.412
RED-RED-10c9212c-49
0.412
TRY-UNI-1fd04853-6
0.412
DAR-DIA-23aa0b97-1
0.412
TRY-UNI-1fd04853-5
0.410
TRY-UNI-1fd04853-11
0.410
MAR-TRE-3159af1a-1
0.400
MAR-TRE-3159af1a-99
0.400
TRY-UNI-1fd04853-12
0.395
SID-ELM-1f105489-1
0.395
MAK-UNK-10572812-6
0.394
RED-RED-10c9212c-38
0.393
MAR-TRE-3159af1a-21
0.392
MAR-TRE-3159af1a-24
0.392
ZAC-WAB-86e8bacf-1
0.389
DAR-DIA-23aa0b97-2
0.386
TRY-UNI-1fd04853-10
0.386
NIC-UNI-f08e2453-2
0.385
MAR-TRE-3159af1a-75
0.385
ANT-DIA-3c79be55-3
0.385
IND-SYN-6c8299e8-4
0.378
SID-ELM-1f105489-9
0.378
MAR-TRE-3159af1a-44
0.378
MAR-TRE-3159af1a-43
0.368
JON-UNI-57097b3f-2
0.367
MAR-TRE-3159af1a-19
0.367
MAR-UCB-195bc32d-10
0.366
PET-SGC-fc67af9f-1
0.362
NIC-BIO-5044b423-1
0.360
MAR-TRE-3159af1a-69
0.359
NIC-UNI-f08e2453-1
0.357
NIC-BIO-3276ca7f-4
0.356