Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1N1CCN(C(=O)c2cc(=O)[nH]c3cccc(OC)c23)CC1C(F)(F)F |
MW: | 495.12 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 74.87 |
cLogP: | 4.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
DAR-DIA-1a77c53a-18
0.841
DAR-DIA-1a77c53a-23
0.726
DAR-DIA-1a77c53a-3
0.711
DAR-DIA-1a77c53a-4
0.711
DAR-DIA-1a77c53a-16
0.670
DAR-DIA-1a77c53a-22
0.670
DAR-DIA-1a77c53a-1
0.663
DAR-DIA-1a77c53a-7
0.639
DAR-DIA-1a77c53a-9
0.616
DAR-DIA-1a77c53a-19
0.596
EDJ-MED-d1cd9639-2
0.567
DAR-DIA-1a77c53a-17
0.557
MAT-POS-3b536971-2
0.546
DAR-DIA-1a77c53a-10
0.546
DAR-DIA-1a77c53a-11
0.546
DAR-DIA-1a77c53a-2
0.545
DAR-DIA-1a77c53a-24
0.537
DAR-DIA-1a77c53a-6
0.532
DAR-DIA-1a77c53a-5
0.532
DAR-DIA-1a77c53a-21
0.518
DAR-DIA-1a77c53a-15
0.518
DAR-DIA-1a77c53a-8
0.491
DAR-DIA-1a77c53a-14
0.482
DAR-DIA-1a77c53a-13
0.457
DAR-DIA-1a77c53a-12
0.457
EDJ-MED-edeb0d3a-2
0.434
MAT-POS-3b536971-1
0.434
EDJ-MED-edeb0d3a-3
0.417
ALP-POS-bea7b391-2
0.404
VLA-UNK-eaa804fd-3
0.373
ALP-POS-bea7b391-3
0.371
EDJ-MED-bbe8e3da-3
0.366
EDJ-MED-6af13d92-3
0.361
EDJ-MED-d1cd9639-1
0.357
EDJ-MED-bbe8e3da-2
0.357
MAT-POS-590ac91e-54
0.356
MAT-POS-54c4bf04-4
0.345
ALP-POS-fc6c627f-1
0.344
BEN-DND-7e92b6ca-13
0.339
MIC-UNK-b9827f26-4
0.333
EDJ-MED-bbe8e3da-4
0.333
EDJ-MED-bbe8e3da-1
0.328
EDJ-MED-6af13d92-2
0.327
ERI-UCB-a0b0dbcb-6
0.322
JAG-UCB-c37fbdcd-1
0.316
ERI-UCB-a0b0dbcb-8
0.313
ERI-UCB-a0b0dbcb-5
0.311
JAR-KUA-8c13982c-20
0.306
ERI-UCB-a0b0dbcb-9
0.304
ALP-POS-3fc1724e-4
0.301
NAU-LAT-56d5284e-8
0.296
DAR-DIA-9e4459de-20
0.296
ERI-UCB-a0b0dbcb-2
0.295
NAU-LAT-56d5284e-3
0.291
MAT-POS-590ac91e-70
0.291
JAG-UCB-c37fbdcd-2
0.289
ALP-POS-05819dc4-1
0.288
MAR-UCB-f313ec4d-5
0.287
BEN-DND-7e92b6ca-12
0.287
BEN-DND-b89db3f2-5
0.286
EDJ-MED-edeb0d3a-1
0.286
ERI-UCB-d6de1f3c-8
0.286
DAR-DIA-9e4459de-17
0.285
ERI-UCB-a0b0dbcb-4
0.284
EDJ-MED-6af13d92-1
0.282
DAR-DIA-9e4459de-23
0.282
DAR-DIA-9e4459de-19
0.281
BEN-DND-7e92b6ca-11
0.281
KRI-MAR-d2e3ef86-13
0.281
DAR-DIA-9e4459de-21
0.280
MAT-POS-590ac91e-43
0.280
MAT-POS-590ac91e-42
0.280
BEN-DND-7e92b6ca-16
0.279
MAT-POS-590ac91e-69
0.277
MAT-POS-590ac91e-48
0.276
MAT-POS-590ac91e-58
0.276
VLA-UCB-eb340134-2
0.275
ERI-UCB-d6de1f3c-1
0.274
DAR-DIA-9e4459de-18
0.272
DAR-DIA-9e4459de-22
0.272
ALP-POS-fc6c627f-3
0.272
MAT-POS-590ac91e-35
0.272
ALP-POS-19e898d3-1
0.271
MAT-POS-590ac91e-67
0.271
MAT-POS-590ac91e-66
0.271
BEN-DND-7e92b6ca-14
0.270
BEN-DND-7e92b6ca-15
0.270
MAT-POS-590ac91e-53
0.269
MAT-POS-3b92565d-4
0.267
MAT-POS-e1b5ac6b-2
0.267
NAU-LAT-56d5284e-2
0.267
NAU-LAT-56d5284e-7
0.267
ERI-UCB-a0b0dbcb-1
0.267
JON-UNI-bb9dc649-16
0.265
MAT-POS-590ac91e-49
0.264
ERI-UCB-d6de1f3c-4
0.263
ERI-UCB-a0b0dbcb-12
0.263
DAR-DIA-9e4459de-24
0.262
MAT-POS-590ac91e-36
0.262
MAK-UNK-df1a028e-3
0.261