Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1cc(NCC(=O)Nc2cccnc2)c2ccncc2c1Cl |
MW: | 433.921 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 113.08 |
cLogP: | 2.4255 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
WAR-XCH-6eb0722e-4
0.469
DUN-NEW-f8ce3686-4
0.451
WAR-XCH-6eb0722e-5
0.429
WAR-XCH-6eb0722e-1
0.420
MAD-FNM-74857450-1
0.416
TAM-UNI-c140e31a-3
0.411
WAR-XCH-6eb0722e-2
0.398
MAR-TRE-2fd8122f-2
0.396
BEN-VAN-ed886787-15
0.378
BEN-VAN-ed886787-13
0.372
ADA-UNI-f8e79267-7
0.365
WAR-XCH-6eb0722e-3
0.364
PET-SGC-d0156db4-2
0.364
WAR-XCH-6eb0722e-6
0.362
WIL-UNI-1faa9b10-8
0.360
MAR-TRE-7f7bb9f0-49
0.359
BEN-DND-362d364a-10
0.358
MAK-UNK-ca11b4f7-1
0.358
ADA-UNI-f8e79267-8
0.356
DAR-DIA-23aa0b97-16
0.356
MAR-TRE-67513f76-93
0.355
ZAC-WAB-d55a3c2e-2
0.353
ZAC-WAB-3baddbb3-1
0.353
EDG-MED-0da5ad92-2
0.352
DAR-DIA-842b4336-12
0.352
ADA-UNI-f8e79267-1
0.350
MAR-TRE-2fd8122f-17
0.343
DUN-NEW-f8ce3686-8
0.343
JOH-IMS-62aeb97d-5
0.341
MAK-UNK-a7b37c5e-1
0.341
CHA-MCP-85291e1d-5
0.340
TAM-UNI-c140e31a-10
0.340
MAK-UNK-a7b37c5e-4
0.337
DAR-DIA-842b4336-13
0.337
MAR-TRE-67513f76-13
0.337
KEI-TRE-d5e2018a-89
0.337
MAR-TRE-9c797165-60
0.337
KEI-TRE-d5e2018a-54
0.337
MAR-TRE-2fd8122f-83
0.336
NAU-LAT-0543f7f2-4
0.336
BEN-VAN-c4cc60be-1
0.336
BEN-VAN-ed886787-3
0.336
BEN-VAN-ed886787-2
0.333
DAR-DIA-842b4336-16
0.333
MAR-TRE-2fd8122f-37
0.333
MAR-TRE-67513f76-81
0.333
MAR-TRE-3e4e6814-62
0.333
MAR-TRE-b77b7921-39
0.333
MAR-TRE-4b834d9a-16
0.330
KEI-TRE-d5e2018a-7
0.330
CHA-MCP-85291e1d-1
0.330
ANT-DIA-b7f58f21-1
0.329
ADA-UNI-f8e79267-2
0.327
SIM-DEM-f31d0e65-1
0.327
MED-UNK-e6e8ef8a-4
0.326
SAD-SAT-24589cd1-4
0.326
JOH-UNK-14e6adc5-5
0.325
BEN-VAN-ed886787-1
0.325
MAK-UNK-b2c98f02-7
0.324
KEI-TRE-d5e2018a-74
0.324
ASH-UNK-40b46b30-3
0.323
MAR-TRE-2fd8122f-78
0.323
DAR-DIA-842b4336-11
0.323
ALE-HEI-f28a35b5-5
0.323
BEN-VAN-ed886787-9
0.322
DUN-NEW-f8ce3686-9
0.321
MAR-TRE-04c86cea-51
0.321
MAR-TRE-9c797165-21
0.320
DAR-DIA-23aa0b97-17
0.320
ANN-UNI-26382800-5
0.320
DUN-NEW-f8ce3686-5
0.319
ALE-HEI-f28a35b5-14
0.318
MAK-UNK-b2c98f02-9
0.318
KEI-TRE-d5e2018a-26
0.318
MAR-TRE-2fd8122f-98
0.317
MAK-UNK-d1e89583-8
0.316
MAR-TRE-3e4e6814-50
0.316
CHA-MCP-85291e1d-2
0.316
MAK-UNK-c749d764-27
0.316
MAR-TRE-d0525fbf-84
0.315
ADA-UNI-f8e79267-9
0.315
SAN-PRS-52b81272-2
0.315
MAR-TRE-f6f5f473-95
0.314
THO-SYG-f9b2970d-2
0.314
MAR-TRE-f6f5f473-46
0.314
MAR-TRE-3e4e6814-65
0.314
KEI-TRE-d5e2018a-45
0.314
ASH-UNK-40b46b30-13
0.314
BEN-VAN-ed886787-14
0.314
MAR-TRE-9c797165-52
0.313
KEI-TRE-d5e2018a-56
0.312
MAK-UNK-c749d764-17
0.312
MAR-TRE-3e4e6814-49
0.311
DRE-WAB-ae4a693c-1
0.310
PET-SGC-d0156db4-1
0.310
PET-SGC-b0f8bd49-1
0.310
BEN-DND-362d364a-12
0.310
MAR-TRE-74c6519b-91
0.310
MAR-TRE-2fd8122f-60
0.310
HAR-NEW-e34cb1ae-7
0.310