Molecular Properties | |
SMILES: | O=C(c1cncc2ccccc12)C1CCN(c2cccc(Cl)c2)CC1 |
MW: | 350.12 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 33.2 |
cLogP: | 4.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketone
MAT-POS-54c4bf04-3
0.623
MIC-UNK-c5a20098-2
0.548
NAU-LAT-56d5284e-1
0.542
MIC-UNK-c5a20098-3
0.529
ALP-POS-76eab5ce-2
0.481
ERI-UCB-d6de1f3c-2
0.472
ERI-UCB-d6de1f3c-7
0.457
MIC-UNK-02d7a284-1
0.434
ERI-UCB-d6de1f3c-6
0.433
MAR-UCB-f313ec4d-6
0.427
MIC-UNK-02d7a284-2
0.413
MIC-UNK-02d7a284-3
0.408
ERI-UCB-d6de1f3c-5
0.406
NAU-LAT-56d5284e-4
0.404
MIC-UNK-25b9c114-1
0.404
MIC-UNK-25b9c114-2
0.400
VLA-UNK-58704097-1
0.394
DAR-DIA-0f7b7cd9-7
0.393
ALF-EVA-a24cc7ce-6
0.392
MIC-UNK-b9827f26-2
0.391
PET-UNK-7be94445-2
0.386
NIR-WEI-acbd6416-1
0.385
MIC-UNK-9582b2c5-3
0.385
PET-UNK-b870596d-2
0.380
MIC-UNK-5a93dd5f-11
0.379
VLA-UCB-1dbca3b4-3
0.378
PET-UNK-7be94445-1
0.378
DAR-DIA-0f7b7cd9-6
0.378
MIC-UNK-b9827f26-3
0.378
MIC-UNK-5a93dd5f-10
0.375
NIR-THE-590dedc7-1
0.375
MIC-UNK-6ab519a7-1
0.375
NAU-LAT-a5c7d7cb-2
0.375
NIR-WEI-acbd6416-2
0.374
MIC-UNK-5a93dd5f-1
0.374
MIC-UNK-b9827f26-5
0.374
FRA-DIA-a1f3a927-1
0.374
PET-UNK-b870596d-1
0.374
DAR-DIA-5d6f1b43-20
0.373
MIC-UNK-5a93dd5f-8
0.370
MIC-UNK-cdc2493e-14
0.368
MIC-UNK-9582b2c5-2
0.368
ADA-UCB-6c2cb422-1
0.368
MIC-UNK-b9827f26-4
0.366
MIC-UNK-b9827f26-1
0.365
MIC-UNK-5a93dd5f-12
0.364
DAR-DIA-6a49afbe-1
0.364
MIC-UNK-cdc2493e-17
0.364
MIC-UNK-cdc2493e-13
0.362
EDJ-MED-cf4b0d25-4
0.362
VLA-UCB-1dbca3b4-13
0.362
DAR-DIA-5d6f1b43-18
0.360
MIC-UNK-5a93dd5f-2
0.360
MIC-UNK-5a93dd5f-6
0.359
MIC-UNK-5a93dd5f-9
0.359
MIC-UNK-5a93dd5f-4
0.359
MAT-POS-54c4bf04-2
0.357
DAR-DIA-6a49afbe-4
0.356
EDJ-MED-ee07cf00-4
0.356
ALP-POS-f13221e1-3
0.356
BEN-DND-d1eb1f41-7
0.354
MAT-POS-24589f88-14
0.354
MIC-UNK-bcd487e9-3
0.354
MIC-UNK-cdc2493e-18
0.353
DAR-DIA-5d6f1b43-19
0.352
MAT-POS-bb423b95-7
0.352
DAR-DIA-5d6f1b43-2
0.352
PET-UNK-4dc48bbe-6
0.351
VLA-UCB-1dbca3b4-17
0.351
ERI-UCB-a0b0dbcb-2
0.351
DAR-DIA-5d6f1b43-9
0.351
MIC-UNK-cdc2493e-1
0.350
MIC-UNK-5a93dd5f-5
0.349
EDJ-MED-ee07cf00-18
0.348
NAU-LAT-2fed8305-2
0.348
EDG-MED-5d232de5-7
0.347
EDG-MED-5d232de5-8
0.347
DAR-DIA-0f7b7cd9-4
0.347
PET-UNK-c9c1e0d8-4
0.347
GIA-UNK-80c9bc96-1
0.347
JOH-UNI-3fc3434e-7
0.347
JOH-UNI-ee5ed7c8-7
0.347
DAR-DIA-5d6f1b43-10
0.347
MIC-UNK-cdc2493e-12
0.347
SAD-SAT-65574d3f-9
0.346
MIC-UNK-5a93dd5f-3
0.346
MIC-UNK-5a93dd5f-7
0.346
PET-UNK-1320d94d-7
0.345
PET-UNK-1320d94d-8
0.345
PET-UNK-ac320b15-10
0.345
PET-UNK-ac320b15-6
0.345
PET-UNK-ac320b15-7
0.345
PET-UNK-ac320b15-8
0.345
PET-UNK-ac320b15-9
0.345
MAT-POS-8293a91a-2
0.345
MAT-POS-8293a91a-6
0.345
MAT-POS-8293a91a-7
0.345
MAT-POS-7174c657-5
0.345
MAT-POS-7174c657-6
0.345
MAT-POS-a13804f0-4
0.345