Molecular Properties | |
SMILES: | O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)Nc1cccnc1 |
MW: | 360.01 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 100.19 |
cLogP: | 1.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1499357998 |
Enamine Extended REAL: | s_2430____881164____7688940 |
Mcule: | MCULE-4787109812 |
Aliphatic long chain
Activated haloaromatics
Long aliphatic chain
Hetero_hetero
AAR-POS-d2a4d1df-11
ALE-HEI-f28a35b5-15
0.493
DAR-DIA-842b4336-4
0.486
MAK-UNK-d1e89583-8
0.449
MAK-UNK-009ebe36-1
0.433
MAK-UNK-d1e89583-1
0.431
MAK-UNK-d1e89583-5
0.429
DAR-DIA-842b4336-13
0.427
MAK-UNK-d1e89583-3
0.423
MAK-UNK-d1e89583-7
0.419
MAK-UNK-d1e89583-9
0.418
SAD-SAT-135344c3-10
0.412
MAK-UNK-d1e89583-6
0.410
MAK-UNK-009ebe36-5
0.396
MAK-UNK-009ebe36-4
0.396
SAD-SAT-689b7d5a-4
0.395
MAK-UNK-d1e89583-2
0.395
DAR-DIA-842b4336-3
0.387
MAK-UNK-ca11b4f7-1
0.382
MAK-UNK-d1e89583-4
0.382
WAR-XCH-eb7b662f-3
0.378
DAR-DIA-23aa0b97-15
0.373
DAR-DIA-842b4336-5
0.372
DAR-DIA-23aa0b97-14
0.368
JOR-UNI-2fc98d0b-7
0.368
WAR-XCH-eb7b662f-7
0.368
JAN-GHE-83b26c96-19
0.368
MAK-UNK-ca11b4f7-2
0.368
SAD-SAT-135344c3-3
0.367
AAR-POS-d2a4d1df-11
0.366
DAR-DIA-842b4336-1
0.365
JOH-IMS-62aeb97d-5
0.362
WAR-XCH-6eb0722e-2
0.362
JIA-UNI-12b1f9ae-1
0.361
SAD-SAT-135344c3-2
0.360
DAR-DIA-23aa0b97-16
0.359
ALE-HEI-f28a35b5-4
0.359
WAR-XCH-6eb0722e-4
0.359
MAK-UNK-a7b37c5e-4
0.355
EDG-MED-0da5ad92-2
0.354
DAR-DIA-842b4336-8
0.354
WAR-XCH-eb7b662f-4
0.354
WAR-XCH-eb7b662f-2
0.354
MAR-TRE-67513f76-81
0.353
MAK-UNK-009ebe36-8
0.352
WAR-XCH-6eb0722e-6
0.351
SAD-SAT-135344c3-8
0.351
PET-SGC-59809fea-1
0.350
WAR-XCH-eb7b662f-5
0.350
WAR-XCH-6eb0722e-5
0.348
ISA-SCH-8e98219b-4
0.346
SAD-SAT-689b7d5a-6
0.345
SAD-SAT-24589cd1-4
0.342
MAK-UNK-a7b37c5e-1
0.342
JOH-IMS-62aeb97d-3
0.342
WIL-UNI-5578df48-14
0.341
ADA-UNI-f8e79267-7
0.340
SAD-SAT-135344c3-1
0.340
DAR-DIA-842b4336-2
0.338
DAR-DIA-842b4336-12
0.338
ALE-HEI-f28a35b5-5
0.338
SAD-SAT-689b7d5a-10
0.337
JOH-IMS-62aeb97d-4
0.333
ALE-MCD-4ac17b19-1
0.333
MAK-UNK-009ebe36-7
0.333
SAD-SAT-2fd372d1-7
0.333
ANN-UNI-26382800-3
0.333
JOH-UNK-14e6adc5-2
0.333
BAR-COM-5694a99d-2
0.333
WIL-UNI-5578df48-15
0.333
ALE-HEI-f28a35b5-14
0.333
MAR-TRE-2fd8122f-37
0.333
AUS-ARG-7cfdce8f-11
0.333
WAR-XCH-eb7b662f-6
0.333
ADA-UNI-f8e79267-8
0.330
MAR-TRE-2fd8122f-94
0.330
ALE-HEI-f28a35b5-8
0.329
DAR-DIA-842b4336-10
0.329
SAN-PRS-52b81272-2
0.329
MAK-UNK-ca11b4f7-3
0.329
WAR-XCH-6eb0722e-3
0.327
WAR-XCH-6eb0722e-1
0.326
ADA-UNI-f8e79267-9
0.326
ZAC-WAB-3baddbb3-1
0.326
ZAC-WAB-d55a3c2e-2
0.326
ADA-UNI-f8e79267-2
0.326
ASH-UNK-40b46b30-13
0.326
CHA-MCP-85291e1d-5
0.326
DAR-DIA-842b4336-14
0.325
ADA-UNI-f8e79267-1
0.322
TRY-UNI-bbd40bb4-4
0.322
MAR-TRE-67513f76-32
0.322
BEN-DND-362d364a-12
0.322
DRE-WAB-ae4a693c-1
0.322
PET-SGC-d0156db4-1
0.322
PET-SGC-b0f8bd49-1
0.322
KEI-TRE-d5e2018a-99
0.322
MAR-TRE-2fd8122f-78
0.321
SAD-SAT-689b7d5a-3
0.321
DAR-DIA-842b4336-7
0.321
DAR-DIA-842b4336-11
0.321