Molecular Properties | |
SMILES: | C[C@H]1COc2c(OC3CCCC3)cc(Cl)cc2[C@@H]1C(=O)Nc1cncc2ccccc12 |
MW: | 436.16 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 60.45 |
cLogP: | 5.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0d514e7d-6
0.929
DAR-DIA-0d514e7d-1
0.778
DAR-DIA-0d514e7d-2
0.778
DAR-DIA-0d514e7d-19
0.769
DAR-DIA-0d514e7d-18
0.745
DAR-DIA-0d514e7d-5
0.694
DAR-DIA-0d514e7d-7
0.688
DAR-DIA-0d514e7d-9
0.660
DAR-DIA-0d514e7d-23
0.657
DAR-DIA-0d514e7d-15
0.631
DAR-DIA-0d514e7d-24
0.630
DAR-DIA-0d514e7d-13
0.624
DAR-DIA-0d514e7d-17
0.624
DAR-DIA-0d514e7d-16
0.612
DAR-DIA-0d514e7d-12
0.606
DAR-DIA-0d514e7d-10
0.604
DAR-DIA-0d514e7d-14
0.600
DAR-DIA-0d514e7d-22
0.600
DAR-DIA-0d514e7d-20
0.600
DAR-DIA-0d514e7d-21
0.594
EDJ-MED-e4b030d8-11
0.582
MAT-POS-8a69d52e-4
0.582
MAT-POS-8a69d52e-5
0.582
ADA-UCB-dc2b944c-14
0.582
ADA-UCB-dc2b944c-13
0.582
BRU-THA-01b12488-1
0.582
MAT-POS-8a69d52e-6
0.582
MAT-POS-8a69d52e-7
0.582
EDJ-MED-e4b030d8-4
0.552
ALF-EVA-5b152d2f-6
0.534
ROB-UNI-8bf7c232-1
0.520
DAR-DIA-0d514e7d-8
0.510
DAR-DIA-0d514e7d-11
0.510
MAT-POS-43fe65f4-1
0.505
EDJ-MED-e4b030d8-7
0.505
DAR-DIA-6a508060-4
0.505
RAL-THA-05e671eb-19
0.505
VLA-UCB-05e51b3f-11
0.505
VLA-UCB-50c39ae8-8
0.505
DAR-DIA-23e5a6a0-2
0.491
DAR-DIA-23e5a6a0-1
0.487
DAR-DIA-23e5a6a0-3
0.487
DAR-DIA-23e5a6a0-5
0.487
DAR-DIA-0587064e-12
0.482
MAT-POS-5369c344-4
0.482
MAR-UCB-6ab2ec87-4
0.480
MAT-POS-777f5926-1
0.476
MAT-POS-22e8b45a-4
0.476
DAR-DIA-0587064e-17
0.473
DAR-DIA-0d514e7d-26
0.473
DAR-DIA-0d514e7d-25
0.473
DAR-DIA-23e5a6a0-4
0.471
BEN-BAS-5c03e89e-1
0.467
MAR-UCB-6ab2ec87-2
0.466
DAR-DIA-0d514e7d-34
0.466
DAR-DIA-0d514e7d-35
0.466
LAU-MED-88a3970a-2
0.464
DAR-DIA-0587064e-15
0.464
LAU-MED-88a3970a-1
0.464
MAT-POS-5369c344-1
0.464
NAU-LAT-0543f7f2-10
0.462
DAR-DIA-0587064e-19
0.457
MAT-POS-5369c344-3
0.457
LAU-MED-88a3970a-3
0.456
LAU-MED-88a3970a-4
0.456
ROB-UNI-7b37d95b-1
0.453
EDJ-MED-e4b030d8-6
0.450
MAK-UNK-8be7dca9-3
0.450
ADA-UCB-dc2b944c-15
0.449
DAR-DIA-0d514e7d-3
0.449
MAT-POS-bbbbc21a-2
0.447
EDJ-MED-12c115cc-1
0.447
MAT-POS-f7918075-2
0.447
EDJ-MED-12c115cc-2
0.447
FRA-DIA-0fa076fe-1
0.446
FRA-DIA-c7e803f4-1
0.446
DAR-DIA-0587064e-20
0.445
MAT-POS-5369c344-2
0.444
DAR-DIA-0587064e-10
0.444
RAL-THA-05e671eb-18
0.444
MIC-UNK-89b52b17-4
0.443
EDJ-MED-12f7f543-1
0.443
PET-UNK-c0891748-2
0.443
PET-UNK-c0891748-8
0.443
ALP-POS-fe871b40-5
0.443
RAL-THA-05e671eb-25
0.443
BEN-BAS-5c03e89e-2
0.440
ALP-UNI-3735e77e-2
0.439
VLA-UCB-1dbca3b4-16
0.439
MAT-POS-f39f51fd-1
0.439
RAL-THA-05e671eb-16
0.439
DAR-DIA-0587064e-13
0.439
BEN-BAS-c2bc0d80-1
0.438
KAD-UNI-877d7bed-1
0.438
MAT-POS-5369c344-7
0.437
MAT-POS-5369c344-5
0.437
DAR-DIA-0587064e-22
0.437
EDJ-MED-e4b030d8-5
0.436
RAL-THA-c9f97604-1
0.436
MAT-POS-2e8b2191-2
0.435