Molecular Properties | |
SMILES: | CN1CCN(C(=O)C2(c3c[nH]c4ncccc34)CC2)CC1 |
MW: | 284.363 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 52.23 |
cLogP: | 1.3685 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-20
NIC-BIO-174c9b04-3
0.844
AAR-POS-d2a4d1df-20
0.480
SID-ELM-1f105489-9
0.480
NIC-BIO-174c9b04-1
0.468
NIC-BIO-5044b423-1
0.456
NIC-BIO-2722da07-1
0.424
IND-SYN-6c8299e8-4
0.405
MAR-TRE-3159af1a-65
0.405
NIC-BIO-2722da07-2
0.383
SID-ELM-1f105489-3
0.378
SID-ELM-1f105489-12
0.378
SID-ELM-1f105489-17
0.378
MAR-TRE-3159af1a-35
0.378
SID-ELM-1f105489-6
0.373
NIC-BIO-25446079-3
0.369
MAR-TRE-3159af1a-36
0.360
MAR-TRE-3159af1a-43
0.360
NIC-BIO-29f4a211-1
0.360
MAR-TRE-3159af1a-19
0.360
NIC-BIO-ec630548-2
0.360
IND-SYN-6c8299e8-5
0.354
IND-SYN-3aa4e743-1
0.354
MAR-TRE-3159af1a-67
0.348
NIC-BIO-29f4a211-2
0.348
NIC-BIO-ec630548-1
0.348
MAR-TRE-3159af1a-42
0.344
NIC-BIO-25446079-4
0.341
NIC-BIO-ec630548-4
0.341
NIC-BIO-ec630548-3
0.337
NIC-BIO-25446079-2
0.333
ALE-HEI-f28a35b5-16
0.333
SID-ELM-1f105489-11
0.333
SAD-SAT-f25ee457-5
0.330
MAR-TRE-3159af1a-61
0.326
RED-RED-10c9212c-38
0.326
SID-ELM-1f105489-10
0.325
MAK-UNK-10572812-3
0.324
MAR-TRE-3159af1a-81
0.323
NIC-BIO-96ee2ca4-1
0.323
MAR-TRE-3159af1a-69
0.323
MAR-TRE-3159af1a-84
0.323
SID-ELM-1f105489-1
0.321
MAR-UCB-195bc32d-13
0.321
MAR-TRE-3159af1a-32
0.320
MAR-TRE-3159af1a-93
0.318
SID-ELM-1f105489-2
0.317
SAD-SAT-f25ee457-10
0.316
NIC-BIO-f814dd3d-1
0.316
SWA-SYN-d2e6fa14-4
0.316
SWA-SYN-6423ea73-4
0.316
MAR-TRE-3159af1a-90
0.315
MAR-TRE-3159af1a-45
0.313
COM-UCB-1ef4e90e-19
0.312
MAR-TRE-3159af1a-74
0.310
NIC-UNI-f08e2453-1
0.310
MAR-TRE-3159af1a-89
0.307
MAK-UNK-10572812-14
0.306
SWA-SYN-d2e6fa14-9
0.305
SWA-SYN-6423ea73-10
0.305
RED-RED-10c9212c-31
0.305
NIC-BIO-3276ca7f-1
0.304
TAM-UNI-c140e31a-5
0.303
KAL-WAB-eb347ebe-1
0.301
MAR-TRE-3159af1a-37
0.301
MAR-TRE-3159af1a-40
0.301
GAB-FRA-261eb2a6-1
0.301
MAR-TRE-3159af1a-2
0.300
MAR-TRE-3159af1a-20
0.299
MAR-TRE-3159af1a-99
0.297
MAR-TRE-3159af1a-41
0.297
MAR-TRE-3159af1a-78
0.297
MAR-TRE-3159af1a-76
0.297
MAR-TRE-3159af1a-33
0.295
NIC-BIO-96ee2ca4-2
0.295
MAR-TRE-3159af1a-66
0.295
MAR-TRE-3159af1a-9
0.294
MAR-TRE-3159af1a-58
0.294
TAM-UNI-c140e31a-8
0.294
SID-ELM-1f105489-14
0.294
MAK-UNK-b1917cc8-5
0.294
RED-RED-10c9212c-43
0.293
MAR-TRE-3159af1a-8
0.291
NIC-BIO-3276ca7f-4
0.290
NIC-BIO-25446079-1
0.287
ASH-UNK-40b46b30-18
0.287
DAR-DIA-03336633-12
0.287
MAK-UNK-de8f6d00-1
0.286
TAM-UNI-c140e31a-19
0.286
MAK-UNK-10572812-9
0.284
MAR-TRE-3159af1a-75
0.284
NIC-UNI-f08e2453-2
0.284
TAM-UNI-c140e31a-4
0.284
MAR-TRE-3159af1a-72
0.284
JOH-IMS-cc7b4c67-1
0.284
MAK-UNK-de8f6d00-2
0.283
NAU-LAT-42d4957e-5
0.283
MAR-TRE-67513f76-5
0.283
MAR-TRE-3159af1a-16
0.282
DAR-DIA-23aa0b97-12
0.281
ASH-UNK-40b46b30-14
0.280