Molecular Properties | |
SMILES: | O=C(CCC1CCNC1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 |
MW: | 391.17 |
Fraction sp3: | 0.56 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 98.4 |
cLogP: | 0.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2435564073 |
Mcule: | MCULE-6633155378 |
MolPort: | MolPort-045-169-102 |
Hetero_hetero
MAR-TRE-3159af1a-43
0.688
MAR-TRE-3159af1a-19
0.655
MAR-TRE-3159af1a-42
0.655
MAR-TRE-3159af1a-35
0.632
MAR-TRE-3159af1a-81
0.611
MAR-TRE-3159af1a-61
0.609
MAR-TRE-3159af1a-65
0.581
MAR-TRE-3159af1a-31
0.575
MAR-TRE-3159af1a-36
0.552
MAR-TRE-3159af1a-32
0.537
MAR-TRE-3159af1a-67
0.533
MAR-TRE-3159af1a-93
0.523
MAR-TRE-3159af1a-78
0.495
MAR-TRE-3159af1a-56
0.478
MAR-TRE-3159af1a-89
0.478
MAR-TRE-3159af1a-74
0.451
MAR-TRE-3159af1a-86
0.436
SWA-SYN-d2e6fa14-4
0.388
SWA-SYN-6423ea73-4
0.388
MAR-TRE-3e4e6814-67
0.354
NIC-BIO-25446079-2
0.354
MAR-TRE-3e4e6814-59
0.343
MAR-TRE-3e4e6814-81
0.337
MAR-TRE-74c6519b-95
0.337
MAR-TRE-3159af1a-2
0.333
NIC-BIO-25446079-4
0.333
AAR-POS-d2a4d1df-20
0.330
NIC-BIO-25446079-1
0.327
SAD-SAT-f25ee457-5
0.324
MAR-TRE-74c6519b-69
0.320
IND-SYN-3aa4e743-1
0.316
IND-SYN-6c8299e8-5
0.316
MAR-TRE-3159af1a-16
0.316
NIC-BIO-29f4a211-2
0.314
NIC-BIO-ec630548-1
0.314
NIC-BIO-174c9b04-2
0.313
MAR-TRE-3159af1a-90
0.311
NIC-BIO-ec630548-2
0.311
NIC-BIO-29f4a211-1
0.311
NIC-BIO-5044b423-1
0.304
SID-ELM-1f105489-9
0.303
SWA-SYN-6423ea73-10
0.303
SWA-SYN-d2e6fa14-9
0.303
PEI-IMP-ca0b2813-4
0.301
GAB-FRA-261eb2a6-1
0.299
MAR-TRE-3159af1a-60
0.299
MAR-TRE-3159af1a-54
0.298
MAR-TRE-3159af1a-79
0.297
NIC-BIO-174c9b04-1
0.297
MAR-TRE-3159af1a-50
0.297
RED-RED-10c9212c-38
0.296
NIC-BIO-ec630548-4
0.296
MAR-TRE-3159af1a-91
0.296
NIC-BIO-174c9b04-3
0.295
MAR-TRE-3159af1a-63
0.294
NIC-BIO-ec630548-3
0.294
MAK-UNK-7c9d1431-12
0.293
NIC-BIO-25446079-3
0.291
MAR-TRE-3159af1a-29
0.291
MAR-TRE-3159af1a-87
0.290
MAR-TRE-3159af1a-70
0.289
NIC-BIO-f814dd3d-1
0.289
MAR-TRE-3159af1a-48
0.288
MAK-UNK-de8f6d00-3
0.288
AAR-POS-d2a4d1df-34
0.287
PEI-IMP-ca0b2813-1
0.287
MAR-TRE-6a44bbf2-8
0.287
DRR-IMP-dff87f5e-5
0.287
MAR-TRE-3159af1a-37
0.287
NIC-BIO-2722da07-1
0.287
MAR-TRE-3159af1a-80
0.287
MAR-TRE-3159af1a-40
0.287
SAD-SAT-f25ee457-6
0.286
DRR-IMP-db50bf6e-4
0.286
COM-UCB-1ef4e90e-19
0.286
MAK-UNK-10572812-9
0.285
MAR-TRE-3159af1a-99
0.284
MAR-TRE-b77b7921-74
0.284
MAR-TRE-3159af1a-72
0.284
ZAC-MCD-2bc172dc-1
0.284
NIC-BIO-96ee2ca4-1
0.283
MAR-TRE-3159af1a-66
0.282
MAR-TRE-3159af1a-69
0.282
MAR-TRE-3159af1a-84
0.282
MAR-TRE-3159af1a-51
0.282
IND-SYN-6c8299e8-7
0.282
MAR-TRE-3e4e6814-88
0.282
MAK-UNK-10572812-10
0.281
NAU-LAT-c9bfe74c-2
0.281
MAR-TRE-3159af1a-39
0.279
KAT-UNK-b2a0d5b1-1
0.278
SAD-SAT-f25ee457-10
0.278
TAM-UNI-c140e31a-5
0.278
MAK-UNK-de8f6d00-8
0.277
IND-SYN-6c8299e8-4
0.277
ZAC-WAB-86e8bacf-1
0.276
ASH-UNK-40b46b30-18
0.276
AAR-POS-d2a4d1df-37
0.276
MAR-TRE-6a44bbf2-7
0.276
MAR-TRE-3159af1a-20
0.274