Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1OCCN(C)C(=O)c1cc(=O)[nH]c2cccc(OC)c12 |
MW: | 416.11 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 80.86 |
cLogP: | 3.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-05819dc4-1
BEN-DND-b89db3f2-5
0.636
EDJ-MED-edeb0d3a-1
0.636
MAT-POS-3b536971-1
0.625
EDJ-MED-edeb0d3a-2
0.625
MAT-POS-590ac91e-43
0.511
EDJ-MED-bbe8e3da-3
0.469
VLA-UNK-eaa804fd-3
0.464
BEN-DND-7e92b6ca-2
0.457
DAR-DIA-1a77c53a-1
0.455
DAR-DIA-1a77c53a-14
0.453
EDJ-MED-6af13d92-3
0.453
ALP-POS-fc6c627f-1
0.449
EDJ-MED-d1cd9639-2
0.444
ALP-POS-05819dc4-1
0.444
DAR-DIA-1a77c53a-7
0.442
DAR-DIA-1a77c53a-2
0.441
MAT-POS-590ac91e-37
0.439
DAR-DIA-1a77c53a-9
0.438
DAR-DIA-1a77c53a-8
0.434
MAT-POS-3b536971-2
0.424
DAR-DIA-1a77c53a-17
0.418
DAR-DIA-1a77c53a-18
0.417
DAR-DIA-1a77c53a-20
0.417
DAR-DIA-1a77c53a-19
0.414
DAR-DIA-1a77c53a-3
0.414
DAR-DIA-1a77c53a-4
0.414
EDJ-MED-bbe8e3da-4
0.413
DAR-DIA-1a77c53a-11
0.411
DAR-DIA-1a77c53a-10
0.411
DAR-DIA-1a77c53a-23
0.409
DAR-DIA-1a77c53a-12
0.404
DAR-DIA-1a77c53a-13
0.404
DAR-DIA-1a77c53a-24
0.402
DAR-DIA-1a77c53a-21
0.402
EDJ-MED-bbe8e3da-2
0.400
DAR-DIA-1a77c53a-5
0.400
DAR-DIA-1a77c53a-6
0.400
ALP-POS-bea7b391-2
0.398
DAR-DIA-1a77c53a-15
0.390
EDJ-MED-6af13d92-2
0.382
DAR-DIA-1a77c53a-16
0.381
DAR-DIA-1a77c53a-22
0.381
EDJ-MED-bbe8e3da-1
0.378
ALP-POS-bea7b391-3
0.376
ALP-POS-fc6c627f-3
0.376
BEN-DND-b89db3f2-4
0.368
VLA-UNK-eaa804fd-2
0.366
EDJ-MED-6af13d92-1
0.356
MAT-POS-590ac91e-42
0.352
ALP-POS-fc6c627f-2
0.351
VLA-UNK-eaa804fd-1
0.340
MAT-POS-54c4bf04-2
0.340
MAT-POS-916a2c5a-2
0.305
MAT-POS-e1b5ac6b-2
0.302
MAT-POS-3b92565d-4
0.302
ALP-POS-3fc1724e-1
0.300
EDJ-MED-d1cd9639-1
0.300
DAR-DIA-9e4459de-19
0.298
MAR-UCB-f313ec4d-1
0.292
ALP-POS-19e898d3-1
0.292
DAR-DIA-9e4459de-20
0.288
DAR-DIA-9e4459de-23
0.282
MAT-POS-590ac91e-32
0.282
DAR-DIA-9e4459de-18
0.280
ALP-POS-3fc1724e-4
0.280
MAT-POS-590ac91e-54
0.280
MAT-POS-590ac91e-53
0.279
NAU-LAT-a5c7d7cb-7
0.278
DAR-DIA-9e4459de-24
0.277
JAN-GHE-82a280f8-3
0.274
JAG-UCB-c37fbdcd-1
0.272
DAR-DIA-9e4459de-22
0.272
ADA-UCB-6c2cb422-8
0.269
DAR-DIA-9e4459de-17
0.268
DAR-DIA-8e329c92-4
0.268
MAT-POS-3b92565d-5
0.266
MAR-UCB-f313ec4d-4
0.266
MAT-POS-590ac91e-55
0.265
ALP-POS-19e898d3-2
0.264
ALP-POS-ddb41b15-4
0.264
NAU-LAT-a5c7d7cb-9
0.264
MAT-UCB-70f7c0f7-4
0.264
DAR-DIA-9e4459de-21
0.263
DAR-DIA-8e329c92-7
0.261
MIC-UNK-67d4a29a-4
0.259
JAR-KUA-8c13982c-20
0.259
DAR-DIA-8e329c92-6
0.259
MAT-POS-590ac91e-51
0.259
DAR-DIA-8e329c92-5
0.259
BEN-DND-7e92b6ca-13
0.257
ERI-UCB-a0b0dbcb-9
0.257
VLA-UNK-eaa804fd-5
0.255
MAT-POS-590ac91e-41
0.254
MAT-POS-590ac91e-39
0.254
MAT-UCB-70f7c0f7-1
0.254
MAT-POS-35d3f55a-2
0.252
VLA-UNK-eaa804fd-4
0.252
ERI-UCB-a0b0dbcb-11
0.252
MAT-UCB-70f7c0f7-3
0.252
ADA-UCB-b1b30a00-2
0.252