Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1N1CCN(C(=O)c2cc(=O)[nH]c3cccc(OC)c23)C[C@H]1c1cccc(F)c1 |
MW: | 521.15 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 74.87 |
cLogP: | 5.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-1a77c53a-22
0.750
DAR-DIA-1a77c53a-3
0.676
DAR-DIA-1a77c53a-4
0.676
DAR-DIA-1a77c53a-18
0.670
DAR-DIA-1a77c53a-20
0.670
DAR-DIA-1a77c53a-23
0.642
DAR-DIA-1a77c53a-1
0.614
DAR-DIA-1a77c53a-15
0.578
DAR-DIA-1a77c53a-7
0.565
DAR-DIA-1a77c53a-9
0.560
DAR-DIA-1a77c53a-11
0.526
DAR-DIA-1a77c53a-10
0.526
EDJ-MED-d1cd9639-2
0.514
DAR-DIA-1a77c53a-21
0.512
DAR-DIA-1a77c53a-17
0.509
DAR-DIA-1a77c53a-19
0.504
DAR-DIA-1a77c53a-2
0.495
DAR-DIA-1a77c53a-24
0.492
DAR-DIA-1a77c53a-6
0.488
DAR-DIA-1a77c53a-5
0.488
MAT-POS-3b536971-2
0.481
DAR-DIA-1a77c53a-8
0.462
DAR-DIA-1a77c53a-14
0.442
DAR-DIA-1a77c53a-12
0.432
DAR-DIA-1a77c53a-13
0.432
MAT-POS-3b536971-1
0.385
EDJ-MED-edeb0d3a-2
0.385
ALP-POS-bea7b391-2
0.382
EDJ-MED-edeb0d3a-3
0.381
EDJ-MED-bbe8e3da-3
0.370
ALP-POS-fc6c627f-1
0.349
ALP-POS-bea7b391-3
0.341
EDJ-MED-d1cd9639-1
0.339
VLA-UNK-eaa804fd-3
0.331
EDJ-MED-bbe8e3da-2
0.328
BEN-DND-7e92b6ca-13
0.322
EDJ-MED-6af13d92-3
0.319
MAT-POS-590ac91e-54
0.318
MAT-POS-54c4bf04-4
0.317
JAR-KUA-8c13982c-20
0.314
EDJ-MED-bbe8e3da-4
0.307
JAG-UCB-c37fbdcd-1
0.302
EDJ-MED-6af13d92-2
0.301
MIC-UNK-b9827f26-4
0.297
ERI-UCB-a0b0dbcb-6
0.296
MAT-POS-590ac91e-69
0.296
MAT-POS-590ac91e-67
0.290
BEN-DND-7e92b6ca-15
0.289
NAU-LAT-56d5284e-3
0.288
ALP-POS-3fc1724e-4
0.288
MAT-POS-e1b5ac6b-2
0.287
MAT-POS-3b92565d-4
0.287
ERI-UCB-a0b0dbcb-5
0.287
JON-MCD-47e58de1-1
0.286
MAT-POS-590ac91e-48
0.285
EDJ-MED-bbe8e3da-1
0.284
VLA-UCB-eb340134-2
0.283
KAT-FAI-78913094-1
0.280
ERI-UCB-a0b0dbcb-9
0.279
DAR-DIA-9e4459de-20
0.278
MAT-POS-590ac91e-70
0.278
ERI-UCB-a0b0dbcb-8
0.278
JAG-UCB-c37fbdcd-2
0.277
NAU-LAT-56d5284e-2
0.276
ALP-POS-05819dc4-1
0.276
MAR-UCB-f313ec4d-5
0.274
BEN-DND-7e92b6ca-12
0.274
BEN-DND-b89db3f2-5
0.273
EDJ-MED-edeb0d3a-1
0.273
MAT-POS-590ac91e-49
0.273
NAU-LAT-56d5284e-8
0.272
ALP-POS-fc6c627f-3
0.271
ERI-UCB-a0b0dbcb-2
0.270
ALP-POS-19e898d3-1
0.270
BEN-DND-7e92b6ca-16
0.267
KAT-FAI-9b65c29e-1
0.264
MAT-POS-590ac91e-58
0.264
ERI-UCB-d6de1f3c-8
0.264
VLA-UCB-eb340134-3
0.264
ALP-POS-fc6c627f-2
0.263
MAT-POS-590ac91e-65
0.262
KAT-FAI-9b65c29e-2
0.262
MAT-POS-590ac91e-35
0.261
DAR-DIA-9e4459de-17
0.260
MAT-POS-590ac91e-66
0.260
JAN-GHE-82a280f8-1
0.260
BEN-DND-7e92b6ca-14
0.258
VLA-UCB-eb340134-1
0.258
MAT-POS-590ac91e-43
0.258
MAT-POS-590ac91e-42
0.258
MAT-POS-590ac91e-68
0.258
DAR-DIA-9e4459de-23
0.257
KRI-MAR-d2e3ef86-7
0.256
ERI-UCB-a0b0dbcb-12
0.252
ERI-UCB-d6de1f3c-1
0.252
MAT-POS-590ac91e-56
0.252
MAT-POS-590ac91e-36
0.252
EDJ-MED-6af13d92-1
0.250
DAR-DIA-9e4459de-19
0.250
MAT-POS-590ac91e-53
0.250