Molecular Properties | |
SMILES: | NCCCC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 |
MW: | 351.14 |
Fraction sp3: | 0.47 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 112.39 |
cLogP: | 0.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2435564159 |
Mcule: | MCULE-9487384209 |
MolPort: | MolPort-045-169-107 |
Hetero_hetero
MAR-TRE-3159af1a-43
0.853
MAR-TRE-3159af1a-35
0.773
MAR-TRE-3159af1a-19
0.733
MAR-TRE-3159af1a-65
0.671
MAR-TRE-3159af1a-45
0.655
MAR-TRE-3159af1a-36
0.636
MAR-TRE-3159af1a-67
0.633
MAR-TRE-3159af1a-81
0.619
MAR-TRE-3159af1a-61
0.598
MAR-TRE-3159af1a-32
0.557
MAR-TRE-3159af1a-93
0.524
MAR-TRE-3159af1a-89
0.512
MAR-TRE-3159af1a-31
0.506
MAR-TRE-3159af1a-78
0.494
MAR-TRE-3159af1a-74
0.482
MAR-TRE-3159af1a-86
0.448
MAR-TRE-3159af1a-56
0.443
SWA-SYN-d2e6fa14-4
0.441
SWA-SYN-6423ea73-4
0.441
AAR-POS-d2a4d1df-20
0.364
NIC-BIO-25446079-2
0.360
IND-SYN-3aa4e743-1
0.348
IND-SYN-6c8299e8-5
0.348
SID-ELM-1f105489-9
0.348
NIC-BIO-174c9b04-2
0.344
MAR-TRE-3159af1a-26
0.343
MAR-TRE-3159af1a-91
0.341
MAR-TRE-3159af1a-90
0.340
NIC-BIO-25446079-4
0.337
NIC-BIO-5044b423-1
0.333
DRR-IMP-dff87f5e-5
0.333
MAR-TRE-6a44bbf2-8
0.333
AAR-POS-d2a4d1df-34
0.333
TAM-UNI-c140e31a-5
0.327
MAR-TRE-3159af1a-70
0.327
NIC-BIO-2722da07-1
0.327
NIC-BIO-29f4a211-1
0.326
SAD-SAT-f25ee457-5
0.326
NIC-BIO-174c9b04-1
0.326
MAK-UNK-7c9d1431-12
0.325
NIC-BIO-174c9b04-3
0.323
MAR-TRE-3159af1a-58
0.322
TAM-UNI-c140e31a-8
0.318
PEI-IMP-ca0b2813-1
0.318
PEI-IMP-ca0b2813-4
0.316
MAR-TRE-3159af1a-48
0.316
MAR-TRE-3159af1a-60
0.315
DRR-IMP-db50bf6e-4
0.315
NIC-BIO-ec630548-2
0.313
MAR-TRE-3159af1a-54
0.312
MAK-UNK-de8f6d00-8
0.312
MAR-TRE-3159af1a-50
0.312
MAR-TRE-3159af1a-79
0.312
ASH-UNK-40b46b30-18
0.311
NIC-BIO-ec630548-4
0.310
MAR-TRE-3159af1a-76
0.309
SAD-SAT-f25ee457-6
0.309
MAR-TRE-3159af1a-69
0.307
KAT-UNK-b2a0d5b1-1
0.307
MAK-UNK-de8f6d00-2
0.306
MAR-TRE-3159af1a-39
0.305
MAR-TRE-3159af1a-87
0.304
SWA-SYN-6423ea73-10
0.304
SWA-SYN-d2e6fa14-9
0.304
NIC-BIO-ec630548-1
0.303
MAR-UCB-195bc32d-13
0.302
SAD-SAT-bc31ec01-5
0.301
MAR-TRE-3159af1a-37
0.300
MAK-UNK-de8f6d00-3
0.300
MAR-TRE-3159af1a-40
0.300
MAR-TRE-3159af1a-80
0.300
NIC-BIO-2722da07-2
0.299
ZAC-MCD-2bc172dc-1
0.299
PEI-IMP-ca0b2813-2
0.298
RED-RED-10c9212c-38
0.297
BEN-DND-03406596-9
0.297
BEN-DND-76ad4ac9-11
0.297
TAM-UNI-c140e31a-4
0.296
MAK-UNK-10572812-9
0.296
RHE-UNK-eb059eb9-1
0.295
MAR-TRE-6a44bbf2-13
0.295
AAR-POS-0daf6b7e-3
0.295
WAR-XCH-79d12f6e-6
0.295
NIC-BIO-96ee2ca4-1
0.295
NAU-LAT-c9bfe74c-3
0.295
IND-SYN-6c8299e8-7
0.295
SID-ELM-1f105489-6
0.295
MAR-TRE-3159af1a-51
0.295
NIC-BIO-ec630548-3
0.294
MAR-TRE-3159af1a-63
0.294
MAR-TRE-3159af1a-16
0.294
ASH-UNK-40b46b30-14
0.292
MAK-UNK-de8f6d00-7
0.292
NIC-BIO-25446079-3
0.292
RED-RED-10c9212c-31
0.291
TAM-UNI-c140e31a-17
0.291
TAM-UNI-c140e31a-18
0.291
IND-SYN-6c8299e8-4
0.290
TRY-UNI-1fd04853-7
0.290
NIC-BIO-29f4a211-2
0.290