Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1C1CC2CC1CN2C(=O)c1cc(=O)[nH]c2cccc(OC)c12 |
MW: | 438.13 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 71.63 |
cLogP: | 4.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-1a77c53a-14
0.800
DAR-DIA-1a77c53a-24
0.618
DAR-DIA-1a77c53a-17
0.608
DAR-DIA-1a77c53a-19
0.602
DAR-DIA-1a77c53a-2
0.582
DAR-DIA-1a77c53a-7
0.580
DAR-DIA-1a77c53a-6
0.579
DAR-DIA-1a77c53a-5
0.579
DAR-DIA-1a77c53a-21
0.578
DAR-DIA-1a77c53a-15
0.564
DAR-DIA-1a77c53a-9
0.559
DAR-DIA-1a77c53a-13
0.556
DAR-DIA-1a77c53a-12
0.556
DAR-DIA-1a77c53a-10
0.509
DAR-DIA-1a77c53a-11
0.509
DAR-DIA-1a77c53a-1
0.505
DAR-DIA-1a77c53a-23
0.495
EDJ-MED-d1cd9639-2
0.495
DAR-DIA-1a77c53a-20
0.491
DAR-DIA-1a77c53a-18
0.491
MAT-POS-3b536971-2
0.490
DAR-DIA-1a77c53a-22
0.474
DAR-DIA-1a77c53a-4
0.473
DAR-DIA-1a77c53a-3
0.473
DAR-DIA-1a77c53a-16
0.462
ALP-POS-bea7b391-2
0.445
MAT-POS-3b536971-1
0.438
EDJ-MED-edeb0d3a-2
0.438
EDJ-MED-edeb0d3a-3
0.434
ALP-POS-bea7b391-3
0.374
VLA-UNK-eaa804fd-3
0.364
ALP-POS-fc6c627f-1
0.358
EDJ-MED-6af13d92-3
0.352
EDJ-MED-bbe8e3da-2
0.348
EDJ-MED-bbe8e3da-4
0.348
EDJ-MED-bbe8e3da-3
0.345
EDJ-MED-d1cd9639-1
0.325
EDJ-MED-edeb0d3a-1
0.322
BEN-DND-b89db3f2-5
0.322
NAU-LAT-56d5284e-8
0.321
MAT-POS-590ac91e-54
0.314
ALP-POS-05819dc4-1
0.313
EDJ-MED-bbe8e3da-1
0.309
EDJ-MED-6af13d92-2
0.307
ERI-UCB-a0b0dbcb-9
0.306
ALP-POS-fc6c627f-3
0.306
ERI-UCB-a0b0dbcb-8
0.293
MAT-POS-54c4bf04-4
0.291
ERI-UCB-d6de1f3c-8
0.288
VLA-UCB-eb340134-3
0.288
ALP-POS-19e898d3-1
0.283
BEN-DND-7e92b6ca-13
0.283
MAT-POS-590ac91e-43
0.282
NAU-LAT-56d5284e-3
0.282
NAU-LAT-56d5284e-2
0.281
VLA-UNK-5b0345c3-1
0.281
ERI-UCB-a0b0dbcb-6
0.280
ALP-POS-bea7b391-1
0.275
MAK-UNK-df1a028e-3
0.274
ERI-UCB-a0b0dbcb-2
0.274
EDJ-MED-6af13d92-1
0.274
ALP-POS-3fc1724e-4
0.272
MAT-POS-590ac91e-42
0.271
MAT-POS-590ac91e-70
0.271
ERI-UCB-a0b0dbcb-5
0.270
NAU-LAT-56d5284e-7
0.270
MAT-POS-3b92565d-4
0.270
MAT-POS-e1b5ac6b-2
0.270
MAT-POS-590ac91e-69
0.269
VLA-UCB-eb340134-2
0.267
ALP-POS-fc6c627f-2
0.266
MAK-UNK-df1a028e-2
0.264
VLA-UNK-5b0345c3-4
0.264
NAU-LAT-56d5284e-6
0.263
MAT-POS-590ac91e-66
0.263
MIC-UNK-50cce87d-12
0.262
NAU-LAT-56d5284e-1
0.261
VLA-UCB-eb340134-1
0.261
DAR-DIA-9e4459de-23
0.259
NAU-LAT-56d5284e-5
0.259
ERI-UCB-a0b0dbcb-1
0.258
MAR-UCB-f313ec4d-5
0.256
BEN-DND-7e92b6ca-12
0.256
MAT-POS-590ac91e-58
0.256
ERI-UCB-a0b0dbcb-12
0.254
ERI-UCB-d6de1f3c-1
0.254
JAG-UCB-c37fbdcd-1
0.254
DAR-DIA-53551c05-17
0.254
JAR-KUA-8c13982c-20
0.252
JAN-GHE-82a280f8-1
0.252
DAR-DIA-9e4459de-19
0.252
BEN-DND-7e92b6ca-2
0.250
DAR-DIA-9e4459de-20
0.250
DAR-DIA-9e4459de-22
0.250
DAR-DIA-9e4459de-24
0.248
ERI-UCB-d6de1f3c-3
0.248
ALP-POS-ddb41b15-4
0.248
ALP-POS-19e898d3-2
0.248
ALP-POS-3fc1724e-1
0.248
VLA-UNK-eaa804fd-2
0.248