Molecular Properties | |
SMILES: | C[C@H]1COc2c(cc(Cl)cc2N2CCNCC2)[C@@H]1C(=O)Nc1cncc2ccccc12 |
MW: | 436.17 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 66.49 |
cLogP: | 4.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0d514e7d-23
0.835
DAR-DIA-0d514e7d-22
0.800
DAR-DIA-0d514e7d-20
0.800
DAR-DIA-0d514e7d-7
0.634
DAR-DIA-0d514e7d-2
0.630
DAR-DIA-0d514e7d-1
0.630
DAR-DIA-0d514e7d-24
0.627
DAR-DIA-0d514e7d-19
0.624
DAR-DIA-0d514e7d-9
0.624
DAR-DIA-0d514e7d-13
0.621
DAR-DIA-0d514e7d-6
0.618
DAR-DIA-0d514e7d-17
0.606
DAR-DIA-0d514e7d-18
0.606
DAR-DIA-0d514e7d-4
0.594
DAR-DIA-0d514e7d-16
0.594
DAR-DIA-0d514e7d-5
0.594
DAR-DIA-0d514e7d-12
0.589
DAR-DIA-0d514e7d-10
0.587
DAR-DIA-0d514e7d-14
0.583
DAR-DIA-0d514e7d-15
0.583
MAT-POS-8a69d52e-5
0.564
ADA-UCB-dc2b944c-14
0.564
MAT-POS-8a69d52e-6
0.564
MAT-POS-8a69d52e-7
0.564
EDJ-MED-e4b030d8-11
0.564
MAT-POS-8a69d52e-4
0.564
ADA-UCB-dc2b944c-13
0.564
BRU-THA-01b12488-1
0.564
ROB-UNI-8bf7c232-1
0.519
DAR-DIA-0d514e7d-8
0.509
DAR-DIA-0d514e7d-11
0.509
ALF-EVA-5b152d2f-6
0.505
DAR-DIA-0d514e7d-34
0.481
DAR-DIA-0d514e7d-35
0.481
MAT-POS-22e8b45a-4
0.477
MAT-POS-777f5926-1
0.477
MAR-UCB-6ab2ec87-4
0.467
BEN-BAS-5c03e89e-1
0.455
MAT-POS-f39f51fd-1
0.454
ROB-UNI-7b37d95b-1
0.454
MAR-UCB-6ab2ec87-2
0.453
MAK-UNK-8be7dca9-3
0.450
RAL-THA-8416115c-4
0.442
MAR-UCB-6ab2ec87-7
0.440
EDJ-MED-e4b030d8-6
0.439
RAL-THA-8416115c-3
0.438
PET-UNK-c0891748-6
0.436
ADA-UCB-dc2b944c-16
0.436
MAT-POS-fb82b63d-3
0.436
PET-UNK-c0891748-12
0.436
DAR-DIA-0d514e7d-3
0.436
ADA-UCB-dc2b944c-15
0.436
MAT-POS-2e8b2191-2
0.436
MAT-POS-f7918075-2
0.434
EDJ-MED-12c115cc-2
0.434
MAT-POS-bbbbc21a-2
0.434
EDJ-MED-12c115cc-1
0.434
RAL-THA-c9f97604-2
0.434
DAR-DIA-0d514e7d-33
0.432
MIC-UNK-45817b9b-2
0.432
DAR-DIA-9f765dc6-1
0.432
DAR-DIA-9f765dc6-4
0.432
DAR-DIA-0f2f46c9-10
0.432
DAR-DIA-9f765dc6-3
0.432
MAR-UCB-6ab2ec87-6
0.431
RAL-THA-8416115c-10
0.431
RAL-THA-8416115c-7
0.430
MAT-POS-2e8b2191-1
0.430
BEN-DND-32596b04-1
0.430
EDG-MED-5d232de5-3
0.429
EDG-MED-5d232de5-4
0.429
DAR-DIA-0f2f46c9-5
0.429
RAL-THA-c11c1343-1
0.429
DAR-DIA-0f2f46c9-4
0.429
DAR-DIA-0f2f46c9-6
0.429
EDJ-MED-2791eece-2
0.429
BEN-BAS-5c03e89e-2
0.429
EDJ-MED-b774e9fe-1
0.429
ALP-POS-966f8da6-2
0.429
RAL-THA-8416115c-9
0.427
DAR-DIA-9f765dc6-2
0.427
DAR-DIA-9f765dc6-5
0.427
DAR-DIA-9f765dc6-6
0.427
RAL-THA-4aa06b95-4
0.426
RAL-THA-8416115c-8
0.426
RAL-THA-4aa06b95-6
0.425
DAR-DIA-0f2f46c9-3
0.425
DAR-DIA-0f2f46c9-1
0.425
DAR-DIA-0f2f46c9-2
0.425
DAR-DIA-0f2f46c9-12
0.423
EDG-MED-5d232de5-6
0.423
EDG-MED-5d232de5-5
0.423
RAL-THA-8416115c-2
0.423
MIC-UNK-91acba05-6
0.423
DAR-DIA-0d514e7d-25
0.422
DAR-DIA-0f2f46c9-13
0.422
DAR-DIA-0f2f46c9-14
0.422
DAR-DIA-0d514e7d-26
0.422
EDJ-MED-036ae2e9-8
0.421
ALP-POS-fe871b40-13
0.421