Molecular Properties | |
SMILES: | CC(=O)N1CCC2(CC1)CCN(c1cncc3ccccc13)C(=O)C2c1cccc(Cl)c1 |
MW: | 447.17 |
Fraction sp3: | 0.35 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 53.51 |
cLogP: | 5.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-d854bf4c-4
0.775
MIC-UNK-d854bf4c-7
0.769
MIC-UNK-d854bf4c-1
0.758
MIC-UNK-d854bf4c-5
0.594
MIC-UNK-d854bf4c-8
0.590
MIC-UNK-d854bf4c-2
0.580
MIC-UNK-9582b2c5-1
0.543
EDG-MED-5d232de5-7
0.543
PET-UNK-c9c1e0d8-4
0.543
GIA-UNK-80c9bc96-1
0.543
EDG-MED-5d232de5-8
0.543
MAT-POS-24589f88-14
0.531
PET-UNK-c9c1e0d8-3
0.531
BEN-DND-d1eb1f41-7
0.531
ALP-UNI-58319883-2
0.520
PET-UNK-431b3bfb-1
0.520
MAT-POS-d8472c4f-1
0.480
MAT-POS-8695a11f-1
0.480
MAT-POS-8695a11f-3
0.480
ALP-UNI-dbb9503d-1
0.465
MIC-UNK-9582b2c5-3
0.464
PET-UNK-7b413b46-7
0.452
PET-UNK-7b413b46-3
0.452
VLA-UCB-1dbca3b4-18
0.451
PET-UNK-abc197b8-1
0.451
PET-UNK-7be94445-2
0.448
MIC-UNK-d854bf4c-6
0.445
PET-UNK-7a31b064-2
0.443
PET-UNK-194f9da3-1
0.443
EDJ-MED-96f6b92c-1
0.442
PET-UNK-7b413b46-2
0.440
PET-UNK-4dc48bbe-6
0.440
VLA-UCB-1dbca3b4-6
0.440
VLA-UCB-1dbca3b4-17
0.440
PET-UNK-7b413b46-6
0.440
EDJ-MED-28b38b9b-1
0.436
ALP-UNI-dbb9503d-2
0.434
PET-UNK-689df078-3
0.431
JAG-UCB-f37eaa14-3
0.430
EDJ-MED-8bb691af-8
0.430
MIK-ENA-37e0b697-1
0.430
PET-UNK-14142a25-1
0.430
LUO-POS-9931618f-1
0.430
LUO-POS-9931618f-2
0.430
MIK-ENA-794411b8-1
0.430
PET-UNK-14142a25-10
0.430
PET-UNK-7b413b46-4
0.429
PET-UNK-7b413b46-8
0.429
PET-UNK-7a31b064-1
0.429
PET-UNK-689df078-4
0.427
DAR-DIA-f6ee7aeb-1
0.426
PET-UNK-194f9da3-2
0.426
VLA-UNK-db5e3064-2
0.426
PET-UNK-7be94445-1
0.424
ALP-POS-4483ae88-2
0.424
PET-UNK-689df078-1
0.423
BEN-DND-d1eb1f41-15
0.423
VLA-UCB-1dbca3b4-10
0.423
PET-UNK-7b413b46-1
0.423
PET-UNK-7b413b46-5
0.423
EDJ-MED-28b38b9b-3
0.422
JOH-MSK-4bb3d434-1
0.422
ALP-POS-41e2080f-1
0.422
ALP-POS-477dc5b7-4
0.422
EDJ-MED-94fddcec-4
0.422
EDJ-MED-d4864bdc-3
0.422
EDJ-MED-159244ea-1
0.422
MAT-POS-983b399a-1
0.422
ALP-UNI-3735e77e-1
0.422
ALP-POS-e0fe77e5-1
0.422
VLA-UNK-8e615992-4
0.420
VLA-UNK-61877630-3
0.420
PET-UNK-689df078-2
0.419
VLA-UNK-db5e3064-1
0.419
MAT-POS-c7726e07-6
0.417
LUO-POS-868e8996-12
0.417
LUO-POS-868e8996-11
0.417
EDJ-MED-8bb691af-4
0.417
MAT-POS-c7726e07-5
0.417
DAR-DIA-5d6f1b43-10
0.417
MIC-UNK-0a05c952-2
0.417
EDJ-MED-3707c4bc-1
0.415
PET-UNK-5ddd54c7-2
0.415
PET-UNK-3e354a91-1
0.415
EDJ-MED-28b38b9b-2
0.414
LUO-POS-e1dab717-11
0.413
VLA-UNK-8e615992-5
0.413
VLA-UNK-61877630-6
0.413
LUO-POS-e1dab717-19
0.412
PET-UNK-aa57768f-2
0.412
PET-UNK-aa57768f-8
0.412
ALP-POS-df536be7-4
0.412
ALP-POS-ce760d3f-8
0.412
ALP-POS-c3a90b22-5
0.412
BEN-DND-d1eb1f41-8
0.411
DAR-DIA-0f7b7cd9-7
0.410
EDJ-MED-33064c06-5
0.410
EDJ-MED-33064c06-18
0.408
VLA-UNK-5d8210f0-5
0.408
DAR-DIA-0f7b7cd9-5
0.408