Molecular Properties | |
SMILES: | O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1cccnc1 |
MW: | 394.11 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 91.4 |
cLogP: | 2.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1277288386 |
Enamine Extended REAL: | s_2430____881164____6079626 |
Mcule: | MCULE-9792452322 |
Hetero_hetero
AAR-POS-d2a4d1df-11
MAK-UNK-009ebe36-5
0.722
MAK-UNK-009ebe36-4
0.581
MAR-TRE-2fd8122f-94
0.506
SAD-SAT-135344c3-2
0.494
MAK-UNK-009ebe36-7
0.489
SAD-SAT-135344c3-3
0.483
MAK-UNK-d1e89583-8
0.452
ALE-HEI-f28a35b5-15
0.434
SAD-SAT-135344c3-6
0.433
SAD-SAT-135344c3-10
0.418
MAR-TRE-4b834d9a-63
0.411
SAD-SAT-135344c3-1
0.406
MAK-UNK-d1e89583-1
0.383
MAK-UNK-d1e89583-3
0.379
MAK-UNK-009ebe36-9
0.376
PET-SGC-59809fea-1
0.371
MAK-UNK-d1e89583-5
0.368
MAK-UNK-d1e89583-6
0.368
MAR-TRE-04c86cea-49
0.367
MAR-TRE-3e4e6814-80
0.364
MAR-TRE-2fd8122f-31
0.361
MAK-UNK-d1e89583-9
0.360
ALE-MCD-4ac17b19-1
0.358
SAD-SAT-689b7d5a-4
0.356
MAR-TRE-04c86cea-46
0.354
ALE-HEI-f28a35b5-4
0.353
MAR-TRE-d0525fbf-90
0.352
DAR-DIA-842b4336-2
0.349
MAR-TRE-7f7bb9f0-33
0.347
MAR-TRE-2fd8122f-13
0.347
MAK-UNK-009ebe36-2
0.347
MAK-UNK-009ebe36-3
0.347
SAD-SAT-135344c3-4
0.347
SAD-SAT-135344c3-8
0.347
JOH-IMS-62aeb97d-4
0.345
SAD-SAT-2fd372d1-7
0.345
SAD-SAT-135344c3-5
0.343
ALE-HEI-f28a35b5-8
0.341
MAR-TRE-3e4e6814-92
0.340
WIL-UNI-5578df48-14
0.337
SAD-SAT-2ceae68f-9
0.337
WIL-UNI-5578df48-17
0.337
MAR-TRE-3e4e6814-34
0.337
KEI-TRE-d5e2018a-32
0.337
ZAC-WAB-3baddbb3-1
0.337
ZAC-WAB-d55a3c2e-2
0.337
MAR-TRE-d0525fbf-45
0.336
KEI-TRE-d5e2018a-73
0.333
KEI-TRE-d5e2018a-52
0.333
MAR-TRE-04c86cea-17
0.333
CHR-SOS-f7373dd1-3
0.333
MAK-UNK-009ebe36-8
0.333
KEI-TRE-d5e2018a-38
0.330
MAR-TRE-04c86cea-35
0.330
MAR-TRE-f6f5f473-23
0.330
MAR-TRE-2fd8122f-29
0.330
TRY-UNI-bbd40bb4-3
0.330
MAR-TRE-67513f76-51
0.330
NIM-UNI-05f93fcc-6
0.330
DAR-DIA-842b4336-4
0.329
DAR-DIA-842b4336-3
0.329
MAR-TRE-a9136c7b-17
0.327
CHR-SOS-f7373dd1-6
0.326
MAK-UNK-d1e89583-7
0.326
DAR-DIA-842b4336-1
0.325
AAR-POS-d2a4d1df-11
0.325
KEI-TRE-d5e2018a-9
0.324
KEI-TRE-d5e2018a-13
0.324
SAD-SAT-135344c3-9
0.324
KEI-TRE-d5e2018a-22
0.323
ASH-UNK-40b46b30-13
0.323
SAD-SAT-689b7d5a-9
0.322
MAK-UNK-ca11b4f7-1
0.321
MAR-TRE-2fd8122f-15
0.320
KEI-TRE-d5e2018a-10
0.320
NAU-LAT-64f4b287-10
0.319
FRA-FAC-9ed5a63a-4
0.319
MAR-TRE-2fd8122f-78
0.319
DAR-DIA-842b4336-12
0.318
MED-UNK-e6e8ef8a-6
0.318
DAR-DIA-842b4336-13
0.318
DAR-DIA-842b4336-11
0.318
DAR-DIA-842b4336-5
0.318
MAR-TRE-d0525fbf-54
0.318
MAR-TRE-7f7bb9f0-76
0.317
BEN-DND-362d364a-10
0.317
WAR-XCH-6eb0722e-5
0.317
MAR-TRE-2fd8122f-19
0.317
AHN-SAT-de2502ba-5
0.315
LON-WEI-120e5cf5-11
0.315
MAR-TRE-2fd8122f-33
0.315
ALE-HEI-f28a35b5-16
0.314
MAR-TRE-3e4e6814-54
0.314
KEI-TRE-d5e2018a-61
0.314
BAR-COM-5694a99d-1
0.313
MAR-TRE-9c797165-57
0.313
SAD-SAT-689b7d5a-6
0.312
JIA-UNI-12b1f9ae-1
0.312
MAR-TRE-67513f76-81
0.312
MAK-UNK-b2c98f02-6
0.311