Molecular Properties | |
SMILES: | O=C(c1cncc2ccccc12)N1CCN(c2cc(Cl)cc(Cl)c2)C(=O)C1 |
MW: | 399.05 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 53.51 |
cLogP: | 4.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ERI-UCB-d6de1f3c-2
0.750
MIC-UNK-b9827f26-1
0.727
MIC-UNK-b9827f26-3
0.671
MIC-UNK-b9827f26-5
0.663
MIC-UNK-b9827f26-4
0.647
MAT-POS-54c4bf04-3
0.512
VLA-UNK-58704097-1
0.511
ERI-UCB-d6de1f3c-7
0.495
MAR-UCB-f313ec4d-6
0.487
MIC-UNK-02d7a284-1
0.469
ERI-UCB-d6de1f3c-6
0.452
MIC-UNK-02d7a284-2
0.447
MIC-UNK-02d7a284-3
0.441
ERI-UCB-d6de1f3c-5
0.425
MIC-UNK-25b9c114-1
0.410
MIC-UNK-25b9c114-2
0.406
ERI-UCB-d6de1f3c-1
0.400
NIR-WEI-acbd6416-1
0.392
MIC-UNK-c5a20098-1
0.391
ALP-POS-76eab5ce-2
0.386
DAR-DIA-6a49afbe-1
0.356
MIC-UNK-c5a20098-2
0.347
BEN-DND-f2e727cd-1
0.340
FRA-DIA-a1f3a927-1
0.340
NIR-WEI-acbd6416-2
0.340
MAT-POS-fce787c2-2
0.337
MAT-POS-54c4bf04-2
0.337
MIC-UNK-c5a20098-3
0.337
PET-UNK-7be94445-2
0.333
ALF-EVA-a24cc7ce-6
0.330
NIR-THE-590dedc7-1
0.327
MIC-UNK-5a93dd5f-10
0.327
MIC-UNK-6ab519a7-1
0.327
NAU-LAT-a5c7d7cb-2
0.327
MAT-POS-d8472c4f-1
0.327
MAT-POS-8695a11f-1
0.327
MAT-POS-8695a11f-3
0.327
VLA-UCB-1dbca3b4-3
0.326
DAR-DIA-0f7b7cd9-7
0.326
VLA-UNK-5d8210f0-1
0.322
EDJ-MED-8bb691af-3
0.321
EDJ-MED-159244ea-1
0.321
MAT-POS-983b399a-1
0.321
ALP-POS-477dc5b7-4
0.321
JUL-TUD-06b2044f-72
0.320
EDJ-MED-28b38b9b-1
0.319
LON-WEI-9739a092-6
0.319
MIC-UNK-d854bf4c-1
0.318
EDJ-MED-50011917-1
0.317
EDJ-MED-40e596c8-3
0.317
PET-UNK-b870596d-2
0.316
EDJ-MED-cc48ee33-4
0.316
MAT-POS-e48723dc-2
0.316
MAT-POS-576f7758-2
0.316
LUO-POS-e1dab717-2
0.316
EDJ-MED-976a33d5-1
0.316
MAT-POS-e48723dc-1
0.316
LUO-POS-e1dab717-19
0.315
DAR-DIA-6a49afbe-9
0.315
ADA-UCB-6c2cb422-1
0.315
MIC-UNK-a28eba03-2
0.315
JAG-UCB-f37eaa14-3
0.314
VLA-UNK-f2612802-1
0.314
DAR-DIA-0f7b7cd9-5
0.313
VLA-UCB-1dbca3b4-13
0.313
LUO-POS-e1dab717-1
0.313
MAT-POS-69786b79-1
0.313
MAT-POS-566864e2-3
0.313
ALP-POS-ecbed2ba-7
0.313
MAT-POS-576f7758-1
0.313
MAT-POS-566864e2-4
0.313
PET-UNK-7be94445-1
0.312
NAU-LAT-2fed8305-2
0.312
EDJ-MED-98c0a822-3
0.311
ALP-POS-c3a90b22-1
0.311
EDJ-MED-96f6b92c-1
0.311
JOH-UNI-ea1df7a8-1
0.311
PET-UNK-c5865d42-1
0.311
MAK-UNK-6ca90168-1
0.310
MAT-POS-c7726e07-5
0.310
EDJ-MED-8bb691af-4
0.310
LUO-POS-868e8996-11
0.310
MAT-POS-c7726e07-6
0.310
LUO-POS-868e8996-12
0.310
PET-UNK-b870596d-1
0.309
MAT-POS-e20a5dfb-1
0.309
MAT-POS-e20a5dfb-2
0.309
ALP-POS-e0fe77e5-7
0.309
ALP-POS-477dc5b7-5
0.309
PET-UNK-8922bd3c-1
0.309
DAR-DIA-0f7b7cd9-9
0.308
YVE-CNR-132fc2df-1
0.308
MAT-POS-f9802937-2
0.308
PET-UNK-14142a25-3
0.308
PET-UNK-14142a25-12
0.308
LUO-POS-e1dab717-14
0.308
MAT-POS-a9372f04-1
0.308
EDJ-MED-cc48ee33-3
0.308
ALP-POS-c3a90b22-2
0.308
EDJ-MED-28b38b9b-2
0.307