Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)CCC2(CCCCC2)N1c1cccc(Cl)c1 |
MW: | 405.16 |
Fraction sp3: | 0.33 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 36.44 |
cLogP: | 6.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-7be94445-1
0.595
PET-UNK-7be94445-2
0.590
DAR-DIA-5d6f1b43-12
0.548
DAR-DIA-0f7b7cd9-7
0.506
MAT-POS-8695a11f-3
0.500
MAT-POS-8695a11f-1
0.500
MAT-POS-d8472c4f-1
0.500
ALP-UNI-dbb9503d-1
0.484
EDJ-MED-96f6b92c-1
0.474
ALP-UNI-dbb9503d-2
0.465
VLA-UCB-1dbca3b4-3
0.457
MIC-UNK-9582b2c5-3
0.453
VLA-UCB-1dbca3b4-13
0.453
PET-UNK-431b3bfb-1
0.449
ALP-UNI-58319883-2
0.449
PET-UNK-c9c1e0d8-3
0.443
EDG-MED-5d232de5-7
0.438
PET-UNK-c9c1e0d8-4
0.438
GIA-UNK-80c9bc96-1
0.438
EDG-MED-5d232de5-8
0.438
DAR-DIA-0f7b7cd9-5
0.438
EDJ-MED-159244ea-1
0.437
MAT-POS-983b399a-1
0.437
ALP-POS-477dc5b7-4
0.437
ALP-POS-41e2080f-1
0.437
EDJ-MED-94fddcec-4
0.437
EDJ-MED-d4864bdc-3
0.437
JAG-UCB-f37eaa14-3
0.431
BEN-DND-d1eb1f41-7
0.429
MAT-POS-24589f88-14
0.429
MAT-POS-a9372f04-1
0.426
JUL-TUD-06b2044f-112
0.424
MAT-POS-e20a5dfb-1
0.421
MAT-POS-e20a5dfb-2
0.421
ALP-POS-e0fe77e5-7
0.421
ALP-POS-477dc5b7-5
0.421
ALP-POS-4483ae88-1
0.421
EDJ-MED-f9b78f78-4
0.421
VLA-UNK-c65c1026-1
0.419
MIC-UNK-d854bf4c-3
0.417
EDJ-MED-159244ea-3
0.413
DAR-DIA-6be260fc-1
0.413
JAG-UCB-f37eaa14-2
0.413
MAT-POS-983b399a-3
0.413
ALP-POS-ecbed2ba-20
0.413
MIC-UNK-d854bf4c-7
0.413
PET-UNK-4dc48bbe-4
0.412
DAR-DIA-0f7b7cd9-6
0.411
DAR-DIA-0f7b7cd9-9
0.410
JAG-UCB-f37eaa14-6
0.409
MIC-UNK-02d7a284-1
0.407
DAR-DIA-6be260fc-5
0.406
DAR-DIA-b80f1cd7-8
0.405
JAG-UCB-f37eaa14-9
0.404
MIC-UNK-d854bf4c-1
0.404
DAR-DIA-0f7b7cd9-10
0.402
DAR-DIA-6be260fc-6
0.402
EDJ-MED-cc48ee33-3
0.400
VLA-UCB-34f3ed0c-11
0.400
VLA-UCB-29506327-1
0.400
MIC-UNK-d854bf4c-5
0.400
VLA-UNK-cf7facf1-1
0.400
DAR-DIA-b80f1cd7-7
0.396
DAR-DIA-6be260fc-3
0.396
EDJ-MED-7587a9ee-3
0.394
ALP-POS-e0fe77e5-13
0.394
MAT-UCL-e2ab2224-1
0.394
EDJ-MED-0d144977-3
0.393
EDJ-MED-cc48ee33-7
0.393
VLA-UNK-f2612802-1
0.393
PET-UNK-689df078-2
0.392
VLA-UNK-db5e3064-1
0.392
PET-UNK-37c7074c-2
0.391
PET-UNK-37c7074c-4
0.391
DAR-DIA-b80f1cd7-9
0.391
DAR-DIA-5d6f1b43-8
0.390
EDJ-MED-98c0a822-1
0.390
ALP-POS-c3a90b22-1
0.390
EDJ-MED-98c0a822-3
0.390
ALP-POS-c3a90b22-4
0.390
MIC-UNK-02d7a284-2
0.389
DAR-DIA-f6ee7aeb-6
0.389
ALP-POS-e0fe77e5-4
0.389
EDJ-MED-976a33d5-3
0.388
PET-UNK-aa57768f-7
0.388
PET-UNK-aa57768f-1
0.388
ALP-POS-c3a90b22-2
0.388
ALP-POS-4483ae88-2
0.388
DAR-DIA-5d6f1b43-5
0.388
PET-UNK-aa57768f-2
0.387
PET-UNK-aa57768f-3
0.387
PET-UNK-aa57768f-8
0.387
PET-UNK-aa57768f-9
0.387
LUO-POS-e1dab717-19
0.387
EDJ-MED-7587a9ee-2
0.387
DAR-DIA-5d6f1b43-11
0.386
ALP-POS-ecbed2ba-10
0.385
MAT-POS-576f7758-2
0.385
LUO-POS-e1dab717-2
0.385
EDJ-MED-976a33d5-1
0.385