Molecular Properties | |
SMILES: | CC1CN(C(=O)c2cncc3ccccc23)CC(=O)N1c1cccc(Cl)c1 |
MW: | 379.11 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 53.51 |
cLogP: | 3.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ERI-UCB-a0b0dbcb-2
MIC-UNK-02d7a284-3
0.681
ERI-UCB-d6de1f3c-5
0.653
ERI-UCB-d6de1f3c-6
0.653
ERI-UCB-d6de1f3c-2
0.580
ERI-UCB-d6de1f3c-8
0.571
MAT-POS-54c4bf04-3
0.565
MIC-UNK-02d7a284-1
0.531
MIC-UNK-02d7a284-2
0.520
MIC-UNK-b9827f26-5
0.500
MIC-UNK-25b9c114-1
0.495
MIC-UNK-b9827f26-2
0.495
MIC-UNK-b9827f26-4
0.490
MIC-UNK-25b9c114-2
0.476
MIC-UNK-b9827f26-3
0.474
MIC-UNK-c5a20098-2
0.468
MIC-UNK-b9827f26-1
0.463
VLA-UNK-58704097-1
0.463
MIC-UNK-c5a20098-1
0.457
MIC-UNK-c5a20098-3
0.439
MAR-UCB-f313ec4d-6
0.437
MIC-UNK-9582b2c5-2
0.430
MIC-UNK-9582b2c5-3
0.421
ALP-POS-76eab5ce-2
0.391
DAR-DIA-0f7b7cd9-7
0.389
VLA-UCB-1dbca3b4-3
0.389
PET-UNK-b870596d-1
0.385
DAR-DIA-5d6f1b43-2
0.379
PET-UNK-b870596d-2
0.378
ERI-UCB-d6de1f3c-3
0.377
DAR-DIA-5d6f1b43-19
0.376
ERI-UCB-d6de1f3c-4
0.374
DAR-DIA-5d6f1b43-20
0.370
DAR-DIA-5d6f1b43-9
0.364
ALF-EVA-a24cc7ce-6
0.362
DAR-DIA-5d6f1b43-21
0.361
PET-UNK-7be94445-1
0.361
DAR-DIA-0f7b7cd9-6
0.361
VLA-UCB-1dbca3b4-13
0.360
PET-UNK-689df078-3
0.356
NIR-WEI-acbd6416-1
0.356
MAT-POS-54c4bf04-2
0.356
PET-UNK-7be94445-2
0.354
PET-UNK-689df078-4
0.353
DAR-DIA-5d6f1b43-22
0.352
PET-UNK-4dc48bbe-6
0.350
VLA-UCB-1dbca3b4-17
0.350
DAR-DIA-5d6f1b43-17
0.349
DAR-DIA-5d6f1b43-18
0.346
FRA-DIA-a1f3a927-1
0.346
NIR-WEI-acbd6416-2
0.346
DAR-DIA-5d6f1b43-10
0.346
DAR-DIA-5d6f1b43-16
0.346
VLA-UCB-34f3ed0c-7
0.345
DAR-DIA-6a49afbe-4
0.343
PET-UNK-c9c1e0d8-3
0.340
MAT-POS-54c4bf04-4
0.340
DAR-DIA-5d6f1b43-12
0.340
DAR-DIA-5d6f1b43-14
0.340
DAR-DIA-5d6f1b43-31
0.339
MIC-UNK-cdc2493e-18
0.339
DAR-DIA-5d6f1b43-32
0.339
MAT-POS-bb423b95-7
0.337
PET-UNK-7b413b46-2
0.337
PET-UNK-7b413b46-6
0.337
VLA-UCB-1dbca3b4-6
0.337
PET-UNK-689df078-1
0.337
VLA-UCB-1dbca3b4-10
0.337
DAR-DIA-5d6f1b43-15
0.336
MIC-UNK-91acba05-2
0.336
EDJ-MED-eb111c00-1
0.336
MIC-UNK-cdc2493e-17
0.336
MIC-UNK-d854bf4c-3
0.336
VLA-UNK-db5e3064-1
0.333
NAU-LAT-2fed8305-2
0.333
PET-UNK-689df078-2
0.333
DAR-DIA-6a49afbe-1
0.333
DAR-DIA-5d6f1b43-33
0.330
ALP-POS-a577c8a2-2
0.330
DAR-DIA-5d6f1b43-23
0.330
PET-UNK-7a31b064-1
0.330
VLA-UCB-05e51b3f-17
0.330
PET-UNK-8922bd3c-1
0.330
EDJ-MED-12c4873b-1
0.328
MIC-UNK-bcd487e9-3
0.327
DAR-DIA-b80f1cd7-1
0.327
NAU-LAT-2fed8305-1
0.327
MAT-POS-50a80394-4
0.325
MIC-UNK-d854bf4c-1
0.325
DAR-DIA-5d6f1b43-26
0.324
ALP-UNI-dbb9503d-2
0.324
ALP-UNI-44c99a80-1
0.324
MIC-UNK-cdc2493e-1
0.324
ALP-UNI-dbb9503d-1
0.324
PET-UNK-4dc48bbe-4
0.324
ADA-UCB-6c2cb422-1
0.323
MAT-POS-4223bc15-39
0.322
DAR-DIA-5d6f1b43-25
0.321
MAT-POS-4223bc15-18
0.321
MIC-UNK-5a93dd5f-9
0.321
MAT-POS-173a45da-1
0.321