Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Nc1cncc2ccccc12)C1CN([C@@H]2CCNC2=O)Cc2ccc(Cl)cc21 |
| MW: | 420.14 |
| Fraction sp3: | 0.26 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 74.33 |
| cLogP: | 3.31 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
![O=C(Nc1cncc2ccccc12)[C@@H]1CN([C@@H]2CCNC2=O)Cc2ccc(Cl)cc21](/static/images/loading.7a8cbb7079d7.gif)
MAT-POS-777f5926-2
1.000
EDJ-MED-12c4873b-5
1.000
RAL-THA-952697e1-3
1.000
RAL-THA-952697e1-2
0.693
EDJ-MED-12c4873b-7
0.693
RAL-THA-952697e1-1
0.693
MAT-POS-dd3ad2b5-4
0.643
MAT-POS-24589f88-2
0.643
MAT-POS-24589f88-3
0.643
MAT-POS-dd3ad2b5-1
0.639
BEN-DND-f2e727cd-6
0.639
EDJ-MED-12c4873b-6
0.631
RAL-THA-8f106089-3
0.631
RAL-THA-8f106089-4
0.631
EDJ-MED-43f8f7d6-7
0.631
EDJ-MED-c40d95bc-2
0.630
MAT-POS-4223bc15-21
0.630
MAT-POS-4223bc15-25
0.630
MAT-POS-4223bc15-13
0.627
MAT-POS-dd3ad2b5-3
0.626
MAT-POS-4223bc15-19
0.626
MAT-POS-dd3ad2b5-2
0.626
RAL-THA-6e4c80cf-1
0.626
PET-UNK-9b23ef84-2
0.626
MAT-POS-4223bc15-3
0.624
MAT-POS-4223bc15-17
0.624
MAT-POS-4223bc15-38
0.623
CLI-TLC-3a13eaf2-1
0.621
MAT-POS-8293a91a-4
0.618
MAT-POS-4223bc15-23
0.618
MAT-POS-4223bc15-26
0.618
MAT-POS-4223bc15-27
0.618
MAT-POS-8293a91a-5
0.618
RAL-THA-ee48ba5f-5
0.618
PET-UNK-162c14b2-1
0.614
MAT-POS-4223bc15-18
0.614
MAT-POS-61f37a1a-12
0.614
MAT-POS-4223bc15-36
0.613
MAT-POS-4223bc15-6
0.608
MAT-POS-dd3ad2b5-5
0.608
EDJ-MED-e9a22d5d-1
0.608
MAT-POS-4223bc15-1
0.608
ALF-EVA-0e90125c-1
0.607
MAT-POS-4223bc15-22
0.606
MAT-POS-4223bc15-24
0.606
MAT-POS-5cd9ea36-13
0.604
MAT-POS-4223bc15-32
0.604
MAT-POS-5cd9ea36-20
0.604
MAT-UNK-04ae9652-1
0.604
MAT-POS-4223bc15-2
0.602
MIC-UNK-482af05e-2
0.602
EDJ-MED-12c4873b-3
0.602
PET-UNK-d61f3ea6-2
0.602
ANN-CHE-e1757302-1
0.602
MAT-POS-4223bc15-28
0.600
DAR-DIA-4987d2cd-2
0.600
MAT-POS-4223bc15-15
0.600
MAT-POS-5cd9ea36-2
0.600
MAT-POS-4223bc15-35
0.596
RAL-THA-ee48ba5f-4
0.596
BRU-THA-98e973b9-1
0.596
BRU-THA-d60fe444-1
0.596
MAT-POS-be048f2c-1
0.595
MAT-POS-5cd9ea36-14
0.594
MAT-POS-4223bc15-41
0.594
EDJ-MED-76744c27-3
0.594
DAR-DIA-d8bd013f-1
0.594
DAR-DIA-d8bd013f-3
0.594
ALF-EVA-0e90125c-3
0.591
MIC-UNK-482af05e-1
0.590
EDJ-MED-1981ceba-2
0.590
BEN-DND-32596b04-7
0.590
MAT-POS-4223bc15-20
0.590
RAL-THA-6e4c80cf-2
0.590
MAT-UNK-f490e871-1
0.589
MAT-POS-4223bc15-9
0.589
MAT-POS-5cd9ea36-3
0.589
DAR-DIA-4987d2cd-1
0.589
MAT-POS-61f37a1a-2
0.589
JOH-UNI-ededfdb6-1
0.589
MAT-POS-4223bc15-10
0.587
MAT-POS-4223bc15-30
0.587
MAT-POS-4223bc15-40
0.587
BEN-DND-32596b04-1
0.587
MAT-POS-5cd9ea36-17
0.585
MAT-POS-4223bc15-7
0.585
MAT-POS-4223bc15-33
0.585
MAT-POS-4223bc15-5
0.585
MAT-POS-4223bc15-34
0.583
EDJ-MED-c82a5324-1
0.583
DAR-DIA-d8bd013f-2
0.583
DAR-DIA-d8bd013f-4
0.583
MAT-POS-5cd9ea36-15
0.583
ALF-EVA-0e90125c-2
0.582
MAT-POS-be048f2c-3
0.580
MAT-POS-4223bc15-29
0.579
EDJ-MED-fa7708b3-1
0.579
MAT-POS-5cd9ea36-24
0.579
PET-UNK-d61f3ea6-1
0.579
MAT-POS-5cd9ea36-4
0.579