Molecular Properties | |
SMILES: | O=C(NCCOc1cc(Cl)cc(Oc2cccnc2)c1)c1cc(=O)[nH]c2ccccc12 |
MW: | 435.1 |
Fraction sp3: | 0.09 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 93.31 |
cLogP: | 4.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
ERI-UCB-ce40166b-16
0.720
ERI-UCB-ce40166b-19
0.698
ALP-POS-3fc1724e-2
0.660
ERI-UCB-ce40166b-17
0.660
NAU-LAT-a5c7d7cb-7
0.626
ERI-UCB-ce40166b-18
0.624
BEN-DND-7e92b6ca-5
0.609
ALP-POS-05819dc4-1
0.530
ERI-UCB-ce40166b-13
0.529
ERI-UCB-ce40166b-15
0.529
ERI-UCB-ce40166b-14
0.509
MAT-POS-916a2c5a-2
0.500
ALP-POS-3fc1724e-1
0.500
MAT-UCB-70f7c0f7-1
0.463
BEN-DND-7e92b6ca-4
0.433
MAT-UCB-70f7c0f7-2
0.430
MAR-UCB-f313ec4d-4
0.423
DAR-DIA-8e329c92-9
0.422
BEN-DND-7e92b6ca-3
0.412
MAT-POS-590ac91e-42
0.407
DAR-DIA-8e329c92-10
0.406
ADA-UCB-b1b30a00-1
0.402
NAU-LAT-56d5284e-6
0.398
ALP-POS-ddb41b15-5
0.388
ALP-UNI-ed5cdfd2-7
0.385
DAR-DIA-8e329c92-11
0.382
JAN-GHE-82a280f8-3
0.375
DAR-DIA-8e329c92-12
0.374
NAU-LAT-56d5284e-7
0.370
MAT-POS-54c4bf04-1
0.367
MAT-POS-590ac91e-32
0.360
DAR-DIA-8e329c92-6
0.360
NAU-LAT-56d5284e-4
0.360
ALP-POS-ddb41b15-1
0.358
DAR-DIA-8e329c92-4
0.357
MAT-POS-9ff17035-3
0.354
MAT-POS-590ac91e-53
0.350
EDJ-MED-edeb0d3a-2
0.342
MAT-POS-3b536971-1
0.342
UNK-UNK-2ede4078-28
0.339
EDJ-MED-edeb0d3a-1
0.339
ERI-UCB-ce40166b-8
0.339
BEN-DND-b89db3f2-5
0.339
KRI-MAR-d2e3ef86-12
0.336
ALP-POS-bea7b391-1
0.336
ALP-POS-ddb41b15-2
0.336
DAR-DIA-8e329c92-13
0.336
ALP-POS-ddb41b15-3
0.333
ALP-POS-ddb41b15-10
0.333
ALP-UNI-ed5cdfd2-5
0.333
DAR-DIA-8e329c92-5
0.333
KRI-MAR-d2e3ef86-15
0.333
NAU-LAT-a5c7d7cb-9
0.330
JAN-GHE-82a280f8-2
0.328
ALP-POS-ddb41b15-4
0.325
EDJ-MED-bbe8e3da-1
0.325
ALP-UNI-ed5cdfd2-4
0.324
NAU-LAT-56d5284e-1
0.324
DAR-DIA-8e329c92-7
0.322
ALP-POS-fc6c627f-3
0.322
VLA-UNK-eaa804fd-3
0.322
NAU-LAT-56d5284e-5
0.321
EDJ-MED-6af13d92-3
0.321
ALP-UNI-ed5cdfd2-8
0.321
MAT-UCB-70f7c0f7-4
0.319
MAR-UCB-d1255a91-1
0.317
ADA-UCB-b1b30a00-2
0.316
NAU-LAT-56d5284e-8
0.316
ALP-UNI-ed5cdfd2-6
0.316
ERI-UCB-a0b0dbcb-12
0.316
ERI-UCB-d6de1f3c-1
0.316
ERI-UCB-a0b0dbcb-2
0.315
MAR-UCB-d1255a91-2
0.314
BEN-DND-7e92b6ca-2
0.312
NAU-LAT-56d5284e-3
0.310
MAT-POS-54c4bf04-2
0.310
MAT-POS-590ac91e-46
0.310
MAT-POS-590ac91e-47
0.310
DAR-DIA-8e329c92-8
0.310
NAU-LAT-0543f7f2-9
0.308
EDJ-MED-bbe8e3da-4
0.308
ERI-UCB-a0b0dbcb-1
0.308
VLA-UCB-eb340134-4
0.307
MAR-TRE-3e4e6814-100
0.306
MAT-UCB-70f7c0f7-3
0.305
EDJ-MED-bbe8e3da-3
0.305
MAR-TRE-74c6519b-68
0.303
JAN-GHE-82a280f8-1
0.302
BEN-DND-7e92b6ca-15
0.301
KEI-TRE-d5e2018a-23
0.301
MAR-TRE-4b834d9a-27
0.301
MAR-TRE-92684b97-53
0.299
NAU-LAT-56d5284e-2
0.298
BEN-DND-7e92b6ca-9
0.298
EDJ-MED-bbe8e3da-2
0.298
EDJ-MED-d1cd9639-1
0.297
BEN-DND-7e92b6ca-12
0.296
MAR-UCB-f313ec4d-5
0.296
VLA-UCB-eb340134-2
0.294
GIA-UNK-3883fa4f-3
0.294