Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1N1CCN(C(=O)c2cncc3ccccc23)CC1=O |
MW: | 395.1 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 62.74 |
cLogP: | 3.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-b9827f26-5
0.741
MIC-UNK-b9827f26-3
0.729
MIC-UNK-b9827f26-2
0.647
ERI-UCB-d6de1f3c-2
0.644
MIC-UNK-b9827f26-1
0.607
ERI-UCB-d6de1f3c-7
0.490
VLA-UNK-58704097-1
0.490
MAT-POS-54c4bf04-3
0.489
MIC-UNK-02d7a284-1
0.467
MAR-UCB-f313ec4d-6
0.449
MIC-UNK-02d7a284-2
0.445
MIC-UNK-02d7a284-3
0.440
ERI-UCB-d6de1f3c-6
0.438
MAT-POS-54c4bf04-2
0.436
NIR-WEI-acbd6416-1
0.422
ERI-UCB-d6de1f3c-5
0.412
MIC-UNK-25b9c114-1
0.398
MIC-UNK-25b9c114-2
0.383
RAL-THA-2d450e86-29
0.376
MAT-POS-3b92565d-1
0.376
MAT-POS-bbbbc21a-1
0.376
JUL-TUD-06b2044f-74
0.373
MIC-UNK-c5a20098-1
0.366
MAT-POS-91829f0d-1
0.366
MAR-UCB-f313ec4d-2
0.366
ALP-POS-76eab5ce-2
0.361
NIR-WEI-acbd6416-2
0.358
FRA-DIA-a1f3a927-1
0.358
MAT-UCL-e2ab2224-1
0.351
ERI-UCB-d6de1f3c-1
0.349
BEN-DND-f2e727cd-1
0.346
JOH-MSK-4bb3d434-1
0.345
BEN-DND-f2e727cd-3
0.343
ALP-UNI-dbb9503d-1
0.336
EDJ-MED-28b38b9b-1
0.336
EDJ-MED-cc48ee33-3
0.336
LUO-POS-e1dab717-2
0.333
EDJ-MED-976a33d5-1
0.333
MAT-POS-e48723dc-2
0.333
MAT-POS-576f7758-2
0.333
EDJ-MED-cc48ee33-4
0.333
MAT-POS-8695a11f-3
0.333
MAT-POS-e48723dc-1
0.333
MAT-POS-d8472c4f-1
0.333
MAT-POS-8695a11f-1
0.333
JAG-UCB-c37fbdcd-1
0.333
DAR-DIA-1a77c53a-20
0.333
ALP-POS-ecbed2ba-7
0.331
LUO-POS-e1dab717-1
0.331
MAT-POS-576f7758-1
0.331
MAT-POS-69786b79-1
0.331
MAT-POS-566864e2-3
0.331
MAT-POS-566864e2-4
0.331
EDJ-MED-40e596c8-1
0.331
JUL-TUD-06b2044f-73
0.330
ALP-POS-d7944b10-16
0.330
MIC-UNK-c5a20098-3
0.330
BEN-DND-f2e727cd-2
0.330
JOH-UNI-ea1df7a8-1
0.330
EDJ-MED-98c0a822-3
0.328
EDJ-MED-cc48ee33-5
0.328
ALP-POS-c3a90b22-1
0.328
EDJ-MED-b6c6ee2b-2
0.328
MAT-POS-e75f6e44-7
0.328
ALP-POS-c3a90b22-6
0.328
MAT-POS-c7726e07-5
0.328
LUO-POS-868e8996-12
0.328
MAT-POS-c7726e07-6
0.328
EDJ-MED-8bb691af-3
0.328
EDJ-MED-8bb691af-4
0.328
LUO-POS-868e8996-11
0.328
JUL-TUD-06b2044f-72
0.327
MIC-UNK-c5a20098-2
0.327
PET-UNK-7be94445-2
0.327
PET-UNK-14142a25-3
0.325
LUO-POS-e1dab717-14
0.325
PET-UNK-14142a25-12
0.325
ALP-POS-c3a90b22-2
0.325
JOH-MSK-4bb3d434-5
0.325
EDJ-MED-28b38b9b-2
0.325
MIC-UNK-d854bf4c-1
0.325
ALP-UNI-dbb9503d-2
0.324
ALF-EVA-a24cc7ce-6
0.324
DAR-DIA-1a77c53a-1
0.324
JUL-TUD-06b2044f-112
0.324
PET-UNK-b870596d-2
0.324
EDJ-MED-33064c06-13
0.323
EDJ-MED-98c0a822-4
0.323
ALP-POS-c3a90b22-3
0.323
EDJ-MED-33064c06-16
0.323
MAT-POS-e75f6e44-10
0.323
ALP-POS-ecbed2ba-14
0.323
LUO-POS-e1dab717-13
0.323
ALP-POS-133e7cd9-1
0.322
EDJ-MED-28b38b9b-3
0.322
LUO-POS-e1dab717-19
0.322
MAT-POS-f9802937-1
0.322
JAG-UCB-f37eaa14-3
0.321
DAR-DIA-0f7b7cd9-5
0.321
EDG-MED-5d232de5-7
0.321