Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1C1CC2CCC1CN2C(=O)c1cc(=O)[nH]c2cccc(OC)c12 |
MW: | 452.15 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 71.63 |
cLogP: | 4.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-1a77c53a-8
0.800
DAR-DIA-1a77c53a-24
0.637
DAR-DIA-1a77c53a-17
0.612
DAR-DIA-1a77c53a-19
0.606
DAR-DIA-1a77c53a-2
0.586
DAR-DIA-1a77c53a-5
0.583
DAR-DIA-1a77c53a-6
0.583
DAR-DIA-1a77c53a-9
0.578
DAR-DIA-1a77c53a-12
0.574
DAR-DIA-1a77c53a-13
0.574
DAR-DIA-1a77c53a-7
0.569
DAR-DIA-1a77c53a-15
0.568
DAR-DIA-1a77c53a-21
0.568
DAR-DIA-1a77c53a-23
0.514
DAR-DIA-1a77c53a-10
0.500
DAR-DIA-1a77c53a-11
0.500
DAR-DIA-1a77c53a-1
0.495
DAR-DIA-1a77c53a-18
0.482
DAR-DIA-1a77c53a-20
0.482
MAT-POS-3b536971-2
0.480
EDJ-MED-d1cd9639-2
0.471
DAR-DIA-1a77c53a-3
0.465
DAR-DIA-1a77c53a-4
0.465
ALP-POS-bea7b391-2
0.464
DAR-DIA-1a77c53a-22
0.454
EDJ-MED-edeb0d3a-3
0.453
DAR-DIA-1a77c53a-16
0.442
EDJ-MED-edeb0d3a-2
0.430
MAT-POS-3b536971-1
0.430
ALP-POS-bea7b391-3
0.391
ALP-POS-fc6c627f-1
0.364
VLA-UNK-eaa804fd-3
0.357
EDJ-MED-bbe8e3da-2
0.353
EDJ-MED-6af13d92-3
0.345
EDJ-MED-bbe8e3da-4
0.342
EDJ-MED-bbe8e3da-3
0.339
NAU-LAT-56d5284e-8
0.316
MAT-POS-590ac91e-54
0.309
BEN-DND-b89db3f2-5
0.305
EDJ-MED-edeb0d3a-1
0.305
EDJ-MED-bbe8e3da-1
0.304
EDJ-MED-6af13d92-2
0.302
NAU-LAT-56d5284e-3
0.299
EDJ-MED-d1cd9639-1
0.297
ALP-POS-05819dc4-1
0.297
ALP-POS-fc6c627f-3
0.290
ERI-UCB-a0b0dbcb-9
0.289
VLA-UCB-eb340134-3
0.283
ALP-POS-bea7b391-1
0.281
ALP-POS-19e898d3-1
0.279
ERI-UCB-a0b0dbcb-8
0.277
MAT-POS-590ac91e-43
0.277
NAU-LAT-56d5284e-2
0.276
ERI-UCB-a0b0dbcb-6
0.275
MAT-POS-54c4bf04-4
0.275
ERI-UCB-d6de1f3c-8
0.273
ALP-POS-fc6c627f-2
0.271
EDJ-MED-6af13d92-1
0.269
ALP-POS-3fc1724e-4
0.268
BEN-DND-7e92b6ca-13
0.267
MAT-POS-590ac91e-42
0.267
MAT-POS-590ac91e-70
0.267
ERI-UCB-a0b0dbcb-5
0.266
MAT-POS-e1b5ac6b-2
0.265
MAT-POS-3b92565d-4
0.265
DAR-DIA-9e4459de-19
0.264
DAR-DIA-9e4459de-20
0.262
MAK-UNK-df1a028e-3
0.259
ERI-UCB-a0b0dbcb-2
0.259
MAT-POS-590ac91e-66
0.258
MIC-UNK-50cce87d-12
0.258
NAU-LAT-56d5284e-1
0.256
DAR-DIA-9e4459de-23
0.256
VLA-UCB-eb340134-1
0.256
DAR-DIA-9e4459de-22
0.255
NAU-LAT-56d5284e-7
0.254
MAT-POS-590ac91e-69
0.254
MAT-POS-590ac91e-58
0.252
VLA-UCB-eb340134-2
0.252
MAK-UNK-df1a028e-2
0.250
ERI-UCB-d6de1f3c-1
0.250
VLA-UNK-5b0345c3-1
0.250
NAU-LAT-56d5284e-6
0.248
JAR-KUA-8c13982c-20
0.248
NAM-UNK-f7c77a48-4
0.248
DAR-DIA-9e4459de-21
0.247
DAR-DIA-9e4459de-18
0.247
DAR-DIA-9e4459de-24
0.246
ERI-UCB-d6de1f3c-3
0.244
ALP-POS-19e898d3-2
0.244
ERI-UCB-a0b0dbcb-1
0.244
ERI-UCB-a0b0dbcb-10
0.244
DAR-DIA-9e4459de-17
0.244
NAU-LAT-56d5284e-5
0.244
VLA-UNK-eaa804fd-2
0.244
JAN-GHE-299e5c7e-3
0.243
VLA-UNK-5b0345c3-4
0.243
JAN-GHE-82a280f8-3
0.242
BEN-DND-7e92b6ca-12
0.242
MAR-UCB-f313ec4d-5
0.242