Molecular Properties | |
SMILES: | CCCCN(C(=O)Nn1cnc2ccccc2c1=O)c1cccc(Cl)c1 |
MW: | 370.12 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 67.23 |
cLogP: | 4.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
Long aliphatic chain
JAN-GHE-f4ca5a00-9
0.646
MAT-POS-06036648-7
0.557
JAN-GHE-5a013bed-3
0.530
JAN-GHE-f4ca5a00-11
0.451
JAN-GHE-f4ca5a00-8
0.440
JAN-GHE-f4ca5a00-5
0.414
UNK-UNK-2ede4078-25
0.400
KRI-MAR-d2e3ef86-19
0.400
JAN-GHE-f4ca5a00-2
0.396
JAN-GHE-74b8b0cb-2
0.394
MIC-UNK-cdc2493e-19
0.390
JAN-GHE-74b8b0cb-1
0.381
MIC-UNK-cdc2493e-24
0.365
MIC-UNK-cdc2493e-23
0.363
MIC-UNK-cdc2493e-3
0.363
MAT-POS-06036648-8
0.356
MIC-UNK-bcd487e9-10
0.356
MIC-UNK-cdc2493e-16
0.352
MIC-UNK-cdc2493e-1
0.346
VLA-UCB-34f3ed0c-13
0.346
MIC-UNK-cdc2493e-2
0.343
MIC-UNK-cdc2493e-15
0.343
MIC-UNK-cdc2493e-22
0.343
VLA-UCB-05e51b3f-14
0.340
EDJ-MED-c314995a-1
0.340
MIC-UNK-bcd487e9-1
0.333
ADA-UCB-dc2b944c-6
0.333
ERI-UCB-ce40166b-23
0.330
ALP-POS-fc6c627f-3
0.327
MIC-UNK-bcd487e9-4
0.324
MIC-UNK-bcd487e9-9
0.324
MIC-UNK-bcd487e9-6
0.324
MIC-UNK-bcd487e9-3
0.324
MIC-UNK-bcd487e9-5
0.324
JOR-UNI-2fc98d0b-11
0.320
JOR-UNI-2fc98d0b-2
0.320
JOR-UNI-2fc98d0b-8
0.320
MAT-UCB-93f6aed8-2
0.318
MIC-UNK-bcd487e9-2
0.318
MIC-UNK-bcd487e9-7
0.315
MIC-UNK-bcd487e9-8
0.315
MAR-TRE-b77b7921-55
0.315
BAR-COM-0f94fc3d-55
0.314
EDG-MED-0da5ad92-20
0.314
MAT-POS-3b92565d-10
0.310
JIN-POS-6dc588a4-21
0.309
JAN-GHE-5a013bed-2
0.309
JOR-UNI-2fc98d0b-15
0.308
JOR-UNI-2fc98d0b-5
0.308
JOR-UNI-2fc98d0b-17
0.308
ALP-POS-ddb41b15-4
0.307
MAT-POS-173a45da-1
0.306
NAU-LAT-a5c7d7cb-4
0.306
MIC-UNK-d36ab305-3
0.306
MIC-UNK-d36ab305-6
0.305
ALP-POS-ddb41b15-3
0.304
JOR-UNI-2fc98d0b-13
0.302
JOR-UNI-2fc98d0b-14
0.302
JOR-UNI-2fc98d0b-6
0.302
MAT-POS-136e7878-1
0.302
JOR-UNI-2fc98d0b-10
0.302
JOR-UNI-2fc98d0b-16
0.301
JOR-UNI-2fc98d0b-12
0.298
MAR-TRE-3e4e6814-41
0.297
SAM-UNK-2684b532-2
0.296
JOR-UNI-2fc98d0b-4
0.295
JOR-UNI-2fc98d0b-3
0.295
JOR-UNI-2fc98d0b-1
0.295
JOR-UNI-2fc98d0b-9
0.295
VLA-UCB-34f3ed0c-2
0.294
MAT-POS-06036648-5
0.292
EDG-MED-0da5ad92-19
0.290
JIN-POS-6dc588a4-7
0.289
UNK-UNK-2ede4078-19
0.288
MAR-TRE-fd17a9b8-41
0.288
MAT-POS-06036648-1
0.286
MAT-POS-06036648-3
0.286
MIC-UNK-cdc2493e-17
0.284
FRA-DIA-13af2da5-1
0.283
MIC-UNK-d36ab305-5
0.283
RAY-UNI-5365d7e5-1
0.282
BAR-COM-0f94fc3d-24
0.280
DAR-DIA-2964957d-9
0.279
JIN-POS-6dc588a4-1
0.278
BEN-DND-61647d40-13
0.278
BEN-DND-02317c5c-11
0.278
MAR-TRE-0fda4e82-58
0.278
MIC-UNK-d36ab305-2
0.278
MIC-UNK-cdc2493e-18
0.277
ALP-POS-8ed8d9ec-3
0.277
MAT-POS-6c284e65-2
0.276
ALP-POS-c3a96089-4
0.276
JAG-UCB-1d922829-4
0.276
MIC-UNK-cdc2493e-11
0.275
MAR-TRE-3e4e6814-61
0.275
MIC-UNK-cdc2493e-9
0.274
ALP-POS-19e898d3-2
0.274
ALP-POS-ddb41b15-2
0.274
VLA-UCB-34f3ed0c-7
0.272
VLA-UNK-4cf5aa07-2
0.271