Molecular Properties | |
SMILES: | CNCCC(C(=O)Nc1cccnc1)c1cccc(Cl)c1 |
MW: | 303.793 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 54.02 |
cLogP: | 3.0668 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ADA-UNI-f8e79267-8
0.761
ADA-UNI-f8e79267-5
0.662
ADA-UNI-f8e79267-10
0.584
ADA-UNI-f8e79267-7
0.500
ADA-UNI-f8e79267-2
0.494
EDG-MED-0da5ad92-2
0.486
JAN-GHE-83b26c96-8
0.463
DAR-DIA-23aa0b97-14
0.444
JAN-GHE-83b26c96-19
0.444
JOR-UNI-2fc98d0b-7
0.444
WAR-XCH-eb7b662f-7
0.444
EDG-MED-0da5ad92-5
0.438
ADA-UNI-f8e79267-4
0.438
KEI-TRE-d5e2018a-16
0.430
KEI-TRE-d5e2018a-19
0.429
PET-SGC-b0f8bd49-1
0.420
BEN-DND-362d364a-12
0.420
DRE-WAB-ae4a693c-1
0.420
PET-SGC-d0156db4-1
0.420
CHR-SOS-7098f804-12
0.419
PET-UNK-ac320b15-3
0.418
PET-UNK-ac320b15-4
0.418
ADA-UNI-f8e79267-12
0.412
MAK-UNK-f203cb68-1
0.402
MAK-UNK-c749d764-7
0.400
MAK-UNK-f203cb68-3
0.398
KEI-TRE-d5e2018a-47
0.386
KEI-TRE-d5e2018a-76
0.386
JAN-GHE-83b26c96-1
0.386
MAR-TRE-2fd8122f-97
0.386
JOR-UNI-2fc98d0b-16
0.385
MAK-UNK-ca11b4f7-1
0.382
BEN-DND-61647d40-20
0.380
JAN-GHE-d851b096-2
0.379
WIL-UNI-5578df48-24
0.379
MIC-UNK-c66144cb-1
0.378
DAR-DIA-23aa0b97-16
0.377
JOH-IMS-62aeb97d-2
0.377
ERI-UCB-ce40166b-23
0.374
CHR-SOS-7098f804-14
0.373
MAK-UNK-a7b37c5e-4
0.373
MED-UNK-e6e8ef8a-1
0.372
KEI-TRE-d5e2018a-99
0.369
MAR-TRE-67513f76-32
0.369
WAR-XCH-eb7b662f-6
0.368
AUS-ARG-7cfdce8f-11
0.368
ADA-UNI-f8e79267-1
0.368
MIC-UNK-c66144cb-2
0.367
ADA-UCB-6c2cb422-9
0.367
CHR-SOS-7098f804-11
0.367
MAR-TRE-3e4e6814-93
0.366
MAR-TRE-04c86cea-65
0.366
SAD-SAT-135344c3-8
0.366
JOR-UNI-2fc98d0b-2
0.364
JOR-UNI-2fc98d0b-8
0.364
MAK-UNK-c749d764-27
0.362
MAR-TRE-7f7bb9f0-74
0.362
JOH-IMS-62aeb97d-5
0.362
JAN-GHE-f4ca5a00-18
0.362
WAR-XCH-eb7b662f-3
0.360
MAK-UNK-a7b37c5e-1
0.359
MAK-UNK-c749d764-17
0.359
WAR-XCH-6eb0722e-4
0.359
MAR-TRE-2fd8122f-79
0.358
MAR-TRE-67513f76-93
0.358
ALP-POS-3b848b35-4
0.356
MIC-UNK-c66144cb-3
0.356
ZAC-WAB-d55a3c2e-2
0.356
ZAC-WAB-3baddbb3-1
0.356
DAR-DIA-23aa0b97-15
0.355
ADA-UNI-f8e79267-9
0.355
WAR-XCH-eb7b662f-4
0.354
MED-UNK-e6e8ef8a-7
0.354
MAR-TRE-d0525fbf-84
0.354
JAN-GHE-83b26c96-9
0.353
MAR-TRE-67513f76-81
0.353
MAK-UNK-f203cb68-2
0.352
JOH-UNI-3fc3434e-6
0.351
JOR-UNI-2fc98d0b-12
0.351
JOH-UNI-ee5ed7c8-6
0.351
JAN-GHE-f4ca5a00-19
0.351
JAN-GHE-f4ca5a00-20
0.351
WAR-XCH-eb7b662f-5
0.350
ANN-UNI-26382800-5
0.349
BEN-DND-61647d40-19
0.349
CHR-SOS-7098f804-13
0.349
KEI-TRE-d5e2018a-24
0.348
BAR-COM-21d20d65-9
0.348
MAK-UNK-ca11b4f7-3
0.348
WAR-XCH-6eb0722e-2
0.347
JOR-UNI-2fc98d0b-3
0.347
JOR-UNI-2fc98d0b-5
0.347
JOR-UNI-2fc98d0b-1
0.347
JOR-UNI-2fc98d0b-4
0.347
JOR-UNI-2fc98d0b-17
0.347
JOR-UNI-2fc98d0b-11
0.347
JAN-GHE-d851b096-4
0.347
SAN-PRS-52b81272-2
0.347
MAR-TRE-7f7bb9f0-49
0.346
EDG-MED-0da5ad92-13
0.346