Molecular Properties | |
SMILES: | COc1cc(Cl)cc(CN2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1F |
MW: | 429.13 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.64 |
cLogP: | 3.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
ALP-POS-3fc1724e-3
0.622
KRI-MAR-d2e3ef86-5
0.591
BEN-DND-7e92b6ca-10
0.591
ERI-UCB-a0b0dbcb-11
0.589
ERI-UCB-a0b0dbcb-12
0.581
KRI-MAR-d2e3ef86-6
0.574
EDJ-MED-d1cd9639-1
0.562
BEN-DND-7e92b6ca-13
0.532
ERI-UCB-a0b0dbcb-14
0.526
ERI-UCB-a0b0dbcb-13
0.525
ERI-UCB-a0b0dbcb-2
0.521
KRI-MAR-d2e3ef86-13
0.500
BEN-DND-7e92b6ca-11
0.500
BEN-DND-7e92b6ca-14
0.495
MAR-UCB-f313ec4d-5
0.490
BEN-DND-7e92b6ca-12
0.490
BEN-DND-7e92b6ca-16
0.489
BEN-DND-7e92b6ca-6
0.489
BEN-DND-7e92b6ca-15
0.485
ERI-UCB-a0b0dbcb-8
0.475
MAT-POS-916a2c5a-4
0.473
EDJ-MED-78f964c8-1
0.473
KRI-MAR-d2e3ef86-7
0.465
NAU-LAT-56d5284e-3
0.461
ERI-UCB-a0b0dbcb-4
0.455
MAT-POS-916a2c5a-3
0.455
KRI-MAR-d2e3ef86-4
0.455
ERI-UCB-a0b0dbcb-9
0.455
ERI-UCB-a0b0dbcb-5
0.453
NAU-LAT-56d5284e-2
0.450
BEN-DND-7e92b6ca-7
0.449
ERI-UCB-a0b0dbcb-3
0.446
ERI-UCB-a0b0dbcb-6
0.442
MAT-POS-54c4bf04-4
0.429
ERI-UCB-d6de1f3c-1
0.427
NAU-LAT-56d5284e-8
0.427
ERI-UCB-ce40166b-21
0.422
BEN-DND-7e92b6ca-9
0.422
ERI-UCB-a0b0dbcb-1
0.415
NAU-LAT-56d5284e-5
0.408
ERI-UCB-d6de1f3c-8
0.398
JAG-UCB-c37fbdcd-1
0.394
VLA-UCB-eb340134-1
0.393
VLA-UCB-eb340134-4
0.390
ALP-POS-05819dc4-1
0.389
EDJ-MED-edeb0d3a-1
0.385
BEN-DND-b89db3f2-5
0.385
VLA-UCB-eb340134-3
0.385
VLA-UCB-eb340134-2
0.385
ERI-UCB-d6de1f3c-4
0.383
ERI-UCB-a0b0dbcb-10
0.376
MAK-UNK-df1a028e-3
0.375
JAN-GHE-82a280f8-1
0.370
MAK-UNK-df1a028e-2
0.369
MAR-UCB-d1255a91-2
0.368
DAR-DIA-8e329c92-4
0.367
MAT-POS-590ac91e-70
0.367
ERI-UCB-a0b0dbcb-7
0.360
JUL-TUD-06b2044f-136
0.356
MAR-UCB-f313ec4d-4
0.355
MAT-POS-590ac91e-68
0.355
DAR-DIA-8e329c92-5
0.354
JUL-TUD-06b2044f-73
0.353
ALP-POS-fc6c627f-3
0.353
ERI-UCB-d6de1f3c-3
0.352
MAT-POS-590ac91e-69
0.351
DAR-DIA-8e329c92-8
0.350
MAT-POS-590ac91e-64
0.348
MAR-UCB-d1255a91-1
0.347
BEN-DND-7e92b6ca-2
0.346
MAT-POS-916a2c5a-2
0.346
NAU-LAT-56d5284e-1
0.346
MAT-POS-3b536971-2
0.345
MAT-POS-590ac91e-67
0.345
MAT-POS-590ac91e-65
0.345
DAR-DIA-53551c05-22
0.343
DAR-DIA-8e329c92-7
0.342
DAR-DIA-8e329c92-10
0.339
MAT-UCB-70f7c0f7-4
0.339
MAT-POS-590ac91e-58
0.339
ALP-POS-3fc1724e-1
0.339
EDJ-MED-d1cd9639-2
0.339
DAR-DIA-fb20be43-8
0.337
PAU-UNI-19862c28-1
0.337
MAT-POS-590ac91e-56
0.336
JAN-GHE-82a280f8-3
0.336
ADA-UCB-b1b30a00-2
0.336
MAT-UCB-70f7c0f7-3
0.336
DAR-DIA-8e329c92-6
0.333
NAU-LAT-56d5284e-4
0.333
JUL-TUD-06b2044f-119
0.333
MAT-POS-4e253971-2
0.333
MAT-POS-590ac91e-63
0.333
DAR-DIA-53551c05-17
0.333
ERI-UCB-ce40166b-18
0.331
MAT-POS-3b92565d-4
0.330
MAT-POS-e1b5ac6b-2
0.330
MAT-POS-590ac91e-54
0.328
JAG-UCB-c37fbdcd-2
0.328
DAR-DIA-fb20be43-2
0.327