Molecular Properties | |
SMILES: | CC(=O)NCC1CN(C(=O)c2cncc3ccccc23)CC(=O)N1c1cccc(Cl)c1 |
MW: | 436.13 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 82.61 |
cLogP: | 2.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ERI-UCB-d6de1f3c-7
0.681
ERI-UCB-d6de1f3c-5
0.680
ERI-UCB-d6de1f3c-6
0.680
ERI-UCB-d6de1f3c-2
0.515
MAT-POS-54c4bf04-3
0.500
MIC-UNK-02d7a284-1
0.491
MIC-UNK-25b9c114-1
0.486
MIC-UNK-02d7a284-2
0.482
MIC-UNK-25b9c114-2
0.482
MIC-UNK-b9827f26-5
0.462
MIC-UNK-b9827f26-2
0.441
MIC-UNK-b9827f26-4
0.440
MIC-UNK-c5a20098-3
0.434
MIC-UNK-b9827f26-3
0.426
ERI-UCB-d6de1f3c-3
0.424
ERI-UCB-d6de1f3c-4
0.420
MIC-UNK-b9827f26-1
0.415
VLA-UNK-58704097-1
0.415
MIC-UNK-9582b2c5-2
0.414
MIC-UNK-c5a20098-1
0.408
MIC-UNK-c5a20098-2
0.406
ERI-UCB-d6de1f3c-8
0.400
MIC-UNK-9582b2c5-3
0.393
ALP-POS-76eab5ce-2
0.390
MAR-UCB-f313ec4d-6
0.388
MAT-POS-54c4bf04-2
0.369
MIC-UNK-cdc2493e-18
0.353
DAR-DIA-5d6f1b43-19
0.353
DAR-DIA-0f7b7cd9-7
0.349
VLA-UCB-1dbca3b4-3
0.349
DAR-DIA-5d6f1b43-20
0.347
DAR-DIA-6a49afbe-4
0.345
ALF-EVA-a24cc7ce-6
0.339
MIC-UNK-cdc2493e-17
0.339
DAR-DIA-6a49afbe-1
0.337
DAR-DIA-0f7b7cd9-6
0.336
PET-UNK-b870596d-1
0.333
UNK-UNK-2ede4078-104
0.333
NIR-WEI-acbd6416-1
0.333
MAT-POS-6c284e65-2
0.328
ALP-POS-c3a96089-4
0.328
MIC-UNK-d854bf4c-3
0.328
PET-UNK-b870596d-2
0.327
DAR-DIA-5d6f1b43-2
0.327
MAT-POS-bb423b95-7
0.327
VLA-UCB-34f3ed0c-7
0.325
MIC-UNK-d36ab305-3
0.325
NIR-THE-590dedc7-1
0.325
MIC-UNK-6ab519a7-1
0.325
MIC-UNK-5a93dd5f-10
0.325
NAU-LAT-a5c7d7cb-2
0.325
VLA-UCB-1dbca3b4-13
0.324
PET-UNK-4d432d33-1
0.322
PET-UNK-4d432d33-5
0.322
NAU-LAT-4ce8bf23-1
0.322
PET-UNK-689df078-3
0.321
VLA-UCB-05e51b3f-17
0.321
PET-UNK-8922bd3c-1
0.321
MIC-UNK-482af05e-4
0.320
PET-UNK-689df078-4
0.319
PET-UNK-7be94445-2
0.318
NAU-LAT-2fed8305-1
0.318
EDJ-MED-12c4873b-2
0.317
LUO-POS-8701f4c8-1
0.317
EDJ-MED-43f8f7d6-2
0.317
MAT-POS-50a80394-4
0.317
MIC-UNK-d854bf4c-1
0.317
EDJ-MED-eb111c00-1
0.316
MIC-UNK-91acba05-2
0.316
VLA-UCB-1dbca3b4-17
0.315
PET-UNK-4dc48bbe-6
0.315
DAR-DIA-5d6f1b43-9
0.315
ALP-POS-c3a96089-3
0.315
ADA-UCB-6c2cb422-1
0.314
PET-UNK-4d432d33-2
0.314
PET-UNK-4d432d33-6
0.314
MIC-UNK-cdc2493e-10
0.314
FRA-DIA-a1f3a927-1
0.314
PET-UNK-7a31b064-2
0.314
NIR-WEI-acbd6416-2
0.314
MIC-UNK-cdc2493e-12
0.314
RAL-THA-a9c31980-5
0.312
DAR-DIA-0f7b7cd9-5
0.312
EDJ-MED-cf4b0d25-4
0.312
PET-UNK-c7ac4d9e-2
0.312
RAL-THA-5e0a6f1a-1
0.312
PET-UNK-c7ac4d9e-1
0.312
MIC-UNK-9582b2c5-1
0.312
NAU-LAT-2fed8305-2
0.312
PET-UNK-7be94445-1
0.312
ALP-POS-a577c8a2-2
0.311
DAR-DIA-5d6f1b43-23
0.311
PET-UNK-7a31b064-1
0.310
EDJ-MED-c99b2211-1
0.310
PET-UNK-37251634-1
0.310
PET-UNK-37251634-9
0.310
NAU-LAT-4ce8bf23-3
0.310
PET-UNK-12d8d43f-2
0.310
PET-UNK-9b23ef84-2
0.308
DAR-DIA-5d6f1b43-22
0.308