Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1N1CCN(C(=O)c2cc(=O)[nH]c3cccc(OC)c23)[C@@H](CC(C)C)C1 |
MW: | 483.19 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 74.87 |
cLogP: | 4.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-1a77c53a-10
1.000
DAR-DIA-1a77c53a-4
0.644
DAR-DIA-1a77c53a-3
0.644
DAR-DIA-1a77c53a-1
0.629
DAR-DIA-1a77c53a-13
0.596
DAR-DIA-1a77c53a-12
0.596
DAR-DIA-1a77c53a-7
0.577
DAR-DIA-1a77c53a-9
0.571
DAR-DIA-1a77c53a-18
0.561
DAR-DIA-1a77c53a-23
0.550
DAR-DIA-1a77c53a-20
0.546
DAR-DIA-1a77c53a-16
0.526
DAR-DIA-1a77c53a-5
0.522
DAR-DIA-1a77c53a-6
0.522
EDJ-MED-d1cd9639-2
0.510
DAR-DIA-1a77c53a-8
0.509
DAR-DIA-1a77c53a-14
0.500
DAR-DIA-1a77c53a-22
0.500
DAR-DIA-1a77c53a-2
0.491
MAT-POS-3b536971-2
0.490
DAR-DIA-1a77c53a-17
0.466
DAR-DIA-1a77c53a-19
0.462
DAR-DIA-1a77c53a-24
0.462
DAR-DIA-1a77c53a-15
0.459
DAR-DIA-1a77c53a-21
0.435
MAT-POS-3b536971-1
0.427
EDJ-MED-edeb0d3a-2
0.427
EDJ-MED-edeb0d3a-3
0.411
ALP-POS-bea7b391-2
0.387
VLA-UNK-eaa804fd-3
0.368
EDJ-MED-bbe8e3da-2
0.364
EDJ-MED-bbe8e3da-3
0.362
EDJ-MED-6af13d92-3
0.357
ALP-POS-bea7b391-3
0.355
ALP-POS-fc6c627f-1
0.352
EDJ-MED-d1cd9639-1
0.342
MAT-POS-590ac91e-54
0.331
EDJ-MED-bbe8e3da-4
0.331
BEN-DND-7e92b6ca-13
0.325
EDJ-MED-bbe8e3da-1
0.315
JAG-UCB-c37fbdcd-1
0.303
EDJ-MED-6af13d92-2
0.303
SAD-SAT-c989feaa-10
0.295
DAR-DIA-9e4459de-20
0.294
ERI-UCB-a0b0dbcb-9
0.291
HYO-UNK-1dbfcf16-1
0.288
ALP-POS-05819dc4-1
0.287
ERI-UCB-a0b0dbcb-6
0.287
BEN-DND-b89db3f2-5
0.285
EDJ-MED-edeb0d3a-1
0.285
ERI-UCB-a0b0dbcb-2
0.282
JAN-GHE-82a280f8-1
0.281
DAR-DIA-9e4459de-19
0.280
MAT-POS-590ac91e-42
0.279
MAT-POS-590ac91e-43
0.279
ERI-UCB-a0b0dbcb-5
0.278
JAG-UCB-c37fbdcd-2
0.278
MAT-POS-3b92565d-4
0.277
MAT-POS-e1b5ac6b-2
0.277
MAT-POS-54c4bf04-4
0.276
MAR-UCB-f313ec4d-5
0.275
BEN-DND-7e92b6ca-12
0.275
VLA-UCB-eb340134-2
0.274
DAR-DIA-9e4459de-23
0.273
DAR-DIA-9e4459de-21
0.272
ALP-POS-fc6c627f-3
0.271
JAR-KUA-8c13982c-20
0.271
EDJ-MED-6af13d92-1
0.270
ALP-POS-3fc1724e-4
0.269
ERI-UCB-a0b0dbcb-8
0.268
DAR-DIA-9e4459de-17
0.268
MIC-UNK-b9827f26-4
0.268
ERI-UCB-d6de1f3c-8
0.264
VLA-UCB-eb340134-3
0.264
DAR-DIA-9e4459de-22
0.264
ALP-POS-fc6c627f-2
0.263
NAU-LAT-56d5284e-8
0.262
DAR-DIA-8e329c92-7
0.262
ALP-POS-19e898d3-1
0.261
MAT-POS-590ac91e-53
0.259
BEN-DND-7e92b6ca-11
0.258
KRI-MAR-d2e3ef86-13
0.258
NAU-LAT-56d5284e-1
0.258
MAT-POS-590ac91e-70
0.258
NAU-LAT-56d5284e-3
0.258
NAU-LAT-56d5284e-2
0.256
DAR-DIA-9e4459de-18
0.256
ERI-UCB-a0b0dbcb-1
0.256
MAT-POS-590ac91e-48
0.256
ERI-UCB-d6de1f3c-3
0.255
DAR-DIA-9e4459de-24
0.254
MAT-POS-590ac91e-58
0.254
ERI-UCB-d6de1f3c-4
0.254
ERI-UCB-d6de1f3c-1
0.252
ERI-UCB-a0b0dbcb-12
0.252
MAT-POS-590ac91e-66
0.250
DAR-DIA-8e329c92-5
0.250
MAK-UNK-df1a028e-3
0.250
MIC-UNK-50cce87d-12
0.250
NAU-LAT-56d5284e-6
0.250