Molecular Properties | |
SMILES: | CC(C(=O)N1CCN(C)CC1)c1c[nH]c2ncccc12 |
MW: | 272.352 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 52.23 |
cLogP: | 1.4404 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-20
NIC-BIO-5044b423-1
0.657
NIC-BIO-2722da07-1
0.605
NIC-BIO-2722da07-2
0.541
SID-ELM-1f105489-9
0.474
AAR-POS-d2a4d1df-20
0.474
NIC-BIO-174c9b04-2
0.468
MAK-UNK-10572812-3
0.465
NIC-BIO-174c9b04-3
0.434
SID-ELM-1f105489-17
0.425
MAR-TRE-3159af1a-36
0.422
SID-ELM-1f105489-3
0.407
SID-ELM-1f105489-12
0.407
SID-ELM-1f105489-6
0.402
MAR-TRE-3159af1a-67
0.391
IND-SYN-6c8299e8-4
0.383
NIC-BIO-29f4a211-1
0.372
NIC-BIO-25446079-3
0.365
MAR-TRE-3159af1a-69
0.363
MAR-TRE-3159af1a-43
0.356
NIC-BIO-ec630548-2
0.356
NIC-BIO-ec630548-4
0.352
IND-SYN-3aa4e743-1
0.349
IND-SYN-6c8299e8-5
0.349
NIC-BIO-ec630548-3
0.348
MAR-TRE-3159af1a-84
0.348
NIC-BIO-ec630548-1
0.344
NIC-BIO-29f4a211-2
0.344
MAR-TRE-3159af1a-19
0.341
MAR-TRE-3159af1a-74
0.337
NIC-BIO-25446079-4
0.337
MAR-TRE-3159af1a-65
0.337
MAR-TRE-3159af1a-35
0.330
NIC-BIO-3276ca7f-1
0.330
NIC-BIO-25446079-2
0.329
SID-ELM-1f105489-11
0.329
ALE-HEI-f28a35b5-16
0.329
MAK-UNK-10572812-14
0.327
MAR-TRE-3159af1a-42
0.326
SAD-SAT-f25ee457-5
0.326
MAR-TRE-3159af1a-61
0.323
RED-RED-10c9212c-38
0.323
MAR-TRE-3159af1a-9
0.321
MAR-TRE-3159af1a-99
0.320
NIC-BIO-96ee2ca4-1
0.320
MAR-TRE-3159af1a-89
0.318
SID-ELM-1f105489-1
0.318
MAR-UCB-195bc32d-13
0.316
MAR-TRE-3159af1a-32
0.316
SWA-SYN-d2e6fa14-9
0.316
SWA-SYN-6423ea73-10
0.316
MAR-TRE-3159af1a-93
0.315
MAR-TRE-3159af1a-24
0.314
SID-ELM-1f105489-2
0.313
NIC-BIO-f814dd3d-1
0.313
SAD-SAT-f25ee457-10
0.313
SWA-SYN-6423ea73-4
0.312
SWA-SYN-d2e6fa14-4
0.312
MAR-TRE-3159af1a-90
0.312
DAR-DIA-03336633-12
0.310
COM-UCB-1ef4e90e-19
0.309
SID-ELM-433ea7f3-3
0.308
MAR-TRE-3159af1a-81
0.306
SID-ELM-1f105489-10
0.306
MAK-UNK-b1917cc8-5
0.306
SID-ELM-1f105489-14
0.306
MAR-TRE-3159af1a-31
0.304
RED-RED-10c9212c-31
0.302
MAK-UNK-10572812-1
0.301
GAB-FRA-261eb2a6-1
0.298
MAR-TRE-3159af1a-37
0.298
MAR-TRE-3159af1a-40
0.298
BAR-COM-4e090d3a-24
0.298
TAM-UNI-c140e31a-19
0.298
MAR-TRE-3159af1a-45
0.297
MAK-UNK-de8f6d00-6
0.296
MAR-TRE-3159af1a-20
0.296
MAK-UNK-de8f6d00-1
0.295
MAR-TRE-3159af1a-1
0.294
MAR-TRE-3159af1a-75
0.294
NIC-UNI-f08e2453-1
0.294
MAK-UNK-de8f6d00-2
0.292
NIC-BIO-96ee2ca4-2
0.292
MAR-TRE-3159af1a-66
0.292
ALE-HEI-f28a35b5-17
0.291
SCO-VAN-260d9628-1
0.291
MAR-TRE-3159af1a-58
0.291
SID-ELM-1f105489-16
0.291
RED-RED-10c9212c-43
0.290
MAR-TRE-3159af1a-44
0.288
MAK-UNK-10572812-12
0.288
MAR-TRE-3159af1a-8
0.287
NIC-BIO-3276ca7f-4
0.287
TAM-UNI-c140e31a-5
0.287
MAR-TRE-3159af1a-70
0.287
MAK-UNK-de8f6d00-8
0.286
ASH-UNK-40b46b30-18
0.284
MAR-TRE-3159af1a-2
0.284
NIC-BIO-25446079-1
0.284
MAK-UNK-10572812-13
0.283
MAR-TRE-3159af1a-86
0.283