Molecular Properties | |
SMILES: | CN1CCC(NC(=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: | Z1400804273 |
Enamine Extended REAL: | s_22____130461____7024784 |
Mcule: | MCULE-3181344768 |
AAR-POS-d2a4d1df-20
NIC-BIO-25446079-1
0.691
AAR-POS-d2a4d1df-20
0.583
NIC-BIO-25446079-4
0.581
NIC-BIO-25446079-2
0.533
IND-SYN-3aa4e743-1
0.520
IND-SYN-6c8299e8-5
0.520
NIC-BIO-29f4a211-1
0.519
MAR-TRE-3159af1a-9
0.507
KAL-WAB-eb347ebe-1
0.500
NIC-BIO-29f4a211-2
0.500
NIC-BIO-ec630548-1
0.500
MAR-TRE-3159af1a-8
0.500
MAR-TRE-3159af1a-33
0.500
NIC-BIO-ec630548-2
0.494
NIC-BIO-ec630548-4
0.488
NIC-BIO-ec630548-3
0.482
SAD-SAT-f25ee457-5
0.481
DAR-DIA-23aa0b97-12
0.481
TRY-UNI-1fd04853-7
0.481
SWA-SYN-6423ea73-10
0.477
SWA-SYN-d2e6fa14-9
0.477
MAR-TRE-3159af1a-37
0.476
MAR-TRE-3159af1a-76
0.476
SAD-SAT-f25ee457-10
0.467
TRY-UNI-1fd04853-8
0.463
MAR-TRE-3159af1a-2
0.462
NIC-BIO-96ee2ca4-1
0.461
MAR-TRE-3159af1a-40
0.459
MAR-TRE-3159af1a-90
0.459
MAR-TRE-3159af1a-41
0.458
ANT-DIA-3c79be55-1
0.457
TRY-UNI-1fd04853-5
0.457
TRY-UNI-1fd04853-11
0.457
TRY-UNI-1fd04853-9
0.451
NIC-BIO-f814dd3d-1
0.451
MAK-UNK-b1917cc8-5
0.449
MAR-TRE-3159af1a-66
0.448
MAR-TRE-3159af1a-84
0.448
TRY-UNI-1fd04853-12
0.440
DAR-DIA-23aa0b97-1
0.440
TRY-UNI-1fd04853-6
0.440
SWA-SYN-d2e6fa14-4
0.438
SWA-SYN-6423ea73-4
0.438
ZAC-WAB-d55a3c2e-1
0.433
ZAC-WAB-2baeb60f-1
0.433
NIC-BIO-96ee2ca4-2
0.433
DAR-DIA-23aa0b97-2
0.430
TRY-UNI-1fd04853-10
0.430
GAB-FRA-261eb2a6-1
0.427
ANT-DIA-3c79be55-3
0.427
MAR-TRE-3159af1a-70
0.419
MAR-TRE-3159af1a-24
0.417
ASH-UNK-40b46b30-18
0.415
MAR-UCB-195bc32d-13
0.413
PET-SGC-fc67af9f-1
0.412
RED-RED-10c9212c-49
0.407
MAR-TRE-3159af1a-16
0.406
TAM-UNI-c140e31a-5
0.404
TAM-UNI-c140e31a-4
0.396
MAR-TRE-3159af1a-1
0.396
MAR-TRE-3159af1a-75
0.396
MAR-TRE-3159af1a-99
0.396
SAD-SAT-f25ee457-6
0.394
NAU-LAT-81109c57-7
0.392
TAM-UNI-c140e31a-8
0.392
SID-ELM-1f105489-9
0.390
MAK-UNK-de8f6d00-2
0.390
TAM-UNI-c140e31a-18
0.388
MAR-TRE-3159af1a-21
0.388
MAR-TRE-3159af1a-44
0.388
TAM-UNI-c140e31a-17
0.388
MAK-UNK-de8f6d00-3
0.384
MAK-UNK-de8f6d00-8
0.384
MAK-UNK-de8f6d00-5
0.382
NIC-BIO-3276ca7f-1
0.382
MAK-UNK-de8f6d00-1
0.380
MAK-UNK-10572812-9
0.375
ASH-UNK-40b46b30-14
0.373
MAK-UNK-de8f6d00-7
0.373
NIC-BIO-5044b423-1
0.372
ZAC-WAB-86e8bacf-1
0.371
NIC-BIO-174c9b04-2
0.369
MAK-UNK-10572812-12
0.368
NIC-BIO-3276ca7f-4
0.367
MAK-UNK-10572812-6
0.366
MAK-UNK-de8f6d00-6
0.365
NIC-BIO-174c9b04-1
0.365
MAK-UNK-10572812-11
0.364
MAK-UNK-10572812-8
0.361
MAK-UNK-10572812-13
0.361
MAK-UNK-10572812-2
0.358
MAR-TRE-3159af1a-73
0.356
DOU-UNK-b5326f8f-15
0.355
NIC-BIO-3276ca7f-5
0.355
MAK-UNK-10572812-1
0.355
MAK-UNK-10572812-10
0.355
MAK-UNK-10572812-7
0.354
NIC-UNI-f08e2453-2
0.354
TAM-UNI-c140e31a-9
0.352
MAR-TRE-3159af1a-93
0.352