Molecular Properties | |
SMILES: | Cc1nn(C)c(C)c1C1CCCN1C(=O)c1c[nH]c2ncccc12 |
MW: | 323.17 |
Fraction sp3: | 0.39 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 66.81 |
cLogP: | 2.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8560762978 |
MolPort: | MolPort-023-144-949 |
RED-RED-10c9212c-43
0.449
MAR-TRE-3159af1a-72
0.351
MAR-TRE-3159af1a-93
0.340
MAR-TRE-3159af1a-37
0.337
MAR-TRE-3159af1a-58
0.333
MAR-TRE-3159af1a-74
0.333
MAR-TRE-3159af1a-67
0.327
NIC-BIO-29f4a211-2
0.327
NIC-BIO-29f4a211-1
0.323
MAR-TRE-3159af1a-81
0.318
MAR-TRE-3159af1a-89
0.316
NIC-BIO-25446079-3
0.316
SID-ELM-1f105489-9
0.316
AAR-POS-d2a4d1df-20
0.316
NAU-LAT-42d4957e-5
0.316
NIC-BIO-ec630548-1
0.314
NIC-BIO-174c9b04-2
0.312
NIC-BIO-ec630548-2
0.311
MAR-TRE-3159af1a-36
0.310
MAR-TRE-3159af1a-86
0.310
NIC-BIO-174c9b04-1
0.309
MAR-TRE-3159af1a-61
0.308
NIC-BIO-ec630548-4
0.308
NIC-BIO-174c9b04-3
0.307
NIC-BIO-25446079-4
0.306
NIC-BIO-ec630548-3
0.305
MAR-TRE-3159af1a-84
0.305
NIC-BIO-5044b423-1
0.303
MAR-TRE-3159af1a-32
0.303
SAD-SAT-f25ee457-10
0.300
NIC-BIO-25446079-2
0.299
MAR-TRE-3159af1a-19
0.298
MAR-TRE-3159af1a-43
0.297
MAR-TRE-3159af1a-99
0.295
MAR-TRE-3159af1a-56
0.294
MAR-TRE-3159af1a-65
0.294
MAR-TRE-3159af1a-78
0.294
NIC-BIO-96ee2ca4-1
0.294
MAR-TRE-3159af1a-31
0.291
MAR-TRE-3159af1a-35
0.290
SWA-SYN-d2e6fa14-9
0.290
SWA-SYN-6423ea73-10
0.290
NIC-BIO-f814dd3d-1
0.288
GAB-FRA-261eb2a6-1
0.287
MAR-TRE-3159af1a-90
0.286
MAR-TRE-3159af1a-2
0.286
MAR-TRE-3159af1a-42
0.286
MAR-TRE-3159af1a-45
0.286
NIC-BIO-2722da07-1
0.286
SAD-SAT-f25ee457-5
0.284
MAR-TRE-3159af1a-75
0.283
RED-RED-10c9212c-38
0.283
MAK-UNK-10572812-6
0.281
MAR-TRE-3159af1a-16
0.281
MAR-TRE-3159af1a-66
0.280
MAR-TRE-3159af1a-69
0.280
MAR-TRE-3159af1a-44
0.278
MAR-TRE-3159af1a-70
0.277
MAR-TRE-3159af1a-8
0.276
IND-SYN-6c8299e8-5
0.276
IND-SYN-3aa4e743-1
0.276
MAR-TRE-3159af1a-40
0.274
MAR-TRE-3159af1a-20
0.273
ZAC-WAB-2baeb60f-1
0.273
ZAC-WAB-d55a3c2e-1
0.273
NIC-BIO-25446079-1
0.273
MAK-UNK-10572812-2
0.272
MAR-TRE-3159af1a-1
0.272
MAK-UNK-10572812-7
0.271
NIC-BIO-96ee2ca4-2
0.271
SID-ELM-1f105489-3
0.270
DOU-UNK-b5326f8f-15
0.268
MAK-UNK-10572812-12
0.268
MAK-UNK-10572812-3
0.268
SID-ELM-1f105489-6
0.267
MAR-TRE-3159af1a-21
0.267
MAR-TRE-3159af1a-24
0.267
MAR-TRE-3159af1a-9
0.265
TAM-UNI-c140e31a-9
0.264
NIC-BIO-3276ca7f-1
0.264
DOU-UNK-b5326f8f-17
0.264
SWA-SYN-d2e6fa14-4
0.264
SWA-SYN-6423ea73-4
0.264
ASH-UNK-40b46b30-18
0.263
ZAC-WAB-86e8bacf-1
0.263
NIC-BIO-2722da07-2
0.263
SAD-SAT-f25ee457-6
0.263
TAM-UNI-c140e31a-8
0.259
MAR-UCB-195bc32d-13
0.258
KAL-WAB-eb347ebe-1
0.258
TAM-UNI-c140e31a-19
0.258
SID-ELM-1f105489-17
0.257
MAR-TRE-3159af1a-91
0.255
DAR-DIA-23aa0b97-12
0.255
RED-RED-10c9212c-31
0.255
TAM-UNI-c140e31a-5
0.254
MAK-UNK-de8f6d00-8
0.254
MAK-UNK-b1917cc8-5
0.253
MAR-TRE-3159af1a-92
0.252
MAK-UNK-10572812-9
0.252