Molecule Details
| Molecular Properties | |
| SMILES: | CCN1CCN(c2ccc(NC(=O)CN3Cc4ccc(Cl)cc4C(C(=O)Nc4cncc5ccccc45)C3)cc2)CC1 |
| MW: | 582.25 |
| Fraction sp3: | 0.3 |
| HBA: | 6 |
| HBD: | 2 |
| Rotatable Bonds: | 7 |
| TPSA: | 80.81 |
| cLogP: | 5.21 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
NIR-WEI-dcc3321b-6
0.790
MAT-POS-4223bc15-23
0.705
MAT-POS-8293a91a-5
0.705
MAT-POS-8293a91a-4
0.705
MAT-POS-4223bc15-25
0.686
JOH-UNI-ededfdb6-1
0.673
NIR-WEI-dcc3321b-2
0.672
EDJ-MED-c40d95bc-2
0.670
MAT-POS-4223bc15-21
0.670
EDJ-MED-c82a5324-3
0.670
MAT-POS-5cd9ea36-15
0.667
MAT-POS-4223bc15-24
0.661
MAT-POS-4223bc15-22
0.661
MAT-POS-5cd9ea36-13
0.658
NIR-WEI-dcc3321b-3
0.650
EDJ-MED-c82a5324-2
0.640
RAL-THA-ee48ba5f-5
0.627
RAL-THA-ee48ba5f-1
0.619
EDJ-MED-fa7708b3-1
0.619
EDJ-MED-e9a22d5d-1
0.618
MIC-UNK-482af05e-2
0.613
MAT-POS-4223bc15-27
0.613
PET-UNK-162c14b2-1
0.609
MAT-POS-61f37a1a-12
0.609
RAL-THA-ee48ba5f-4
0.607
MIC-UNK-482af05e-1
0.602
MAT-UNK-f490e871-1
0.600
MAT-POS-4223bc15-26
0.598
MAT-POS-4223bc15-28
0.596
EDJ-MED-c40d95bc-1
0.592
MAT-UNK-35705829-1
0.591
EDJ-MED-fa7708b3-3
0.588
RAL-THA-ee48ba5f-2
0.586
MAT-UNK-04ae9652-1
0.586
NIR-WEI-dcc3321b-4
0.583
NIR-WEI-dcc3321b-5
0.579
EDJ-MED-7889e8da-3
0.579
EDJ-MED-0186a59b-2
0.579
MAT-POS-4223bc15-19
0.577
RAL-THA-6e4c80cf-1
0.577
CLI-TLC-36f34aa2-1
0.576
MAT-POS-4223bc15-6
0.575
MAT-POS-4223bc15-20
0.574
RAL-THA-6e4c80cf-2
0.574
MAT-POS-dd3ad2b5-1
0.573
BEN-DND-f2e727cd-6
0.573
ALF-EVA-0e90125c-9
0.571
ALP-POS-6f6ae286-5
0.568
EDJ-MED-0186a59b-1
0.568
EDJ-MED-7889e8da-1
0.568
BEN-DND-f06bfa8e-2
0.568
EDJ-MED-fa7708b3-2
0.567
MAT-POS-b4d6b7fc-1
0.566
RAL-THA-ee48ba5f-6
0.563
MAT-POS-24589f88-2
0.562
MAT-POS-dd3ad2b5-2
0.562
MAT-POS-dd3ad2b5-4
0.562
PET-UNK-9b23ef84-2
0.562
MAT-POS-24589f88-3
0.562
PET-UNK-5ba9a1cb-3
0.558
PET-UNK-5ba9a1cb-2
0.558
MAT-POS-2e8b2191-10
0.557
EDJ-MED-12c4873b-3
0.557
MAT-POS-5cd9ea36-17
0.556
DAR-DIA-4987d2cd-2
0.556
PET-UNK-9b23ef84-14
0.555
PET-UNK-af70882d-2
0.555
MAT-POS-4223bc15-34
0.555
PET-UNK-5ba9a1cb-1
0.554
MAT-POS-97ec4bd1-3
0.554
MAT-POS-4223bc15-18
0.553
MAT-POS-4223bc15-35
0.552
RAL-THA-ee48ba5f-3
0.549
MAT-POS-dd3ad2b5-3
0.549
MAT-POS-4223bc15-1
0.548
MAT-POS-4223bc15-17
0.548
MAT-POS-4223bc15-3
0.548
MAT-POS-dd3ad2b5-5
0.548
DAR-DIA-4987d2cd-1
0.546
MAT-POS-4223bc15-2
0.543
PET-UNK-d61f3ea6-2
0.543
MAT-POS-4223bc15-7
0.542
DAR-DIA-d8bd013f-2
0.542
DAR-DIA-d8bd013f-4
0.542
PET-UNK-9b23ef84-6
0.542
EDJ-MED-c82a5324-1
0.542
MAT-POS-5cd9ea36-16
0.542
EDJ-MED-7889e8da-5
0.541
EDJ-MED-0186a59b-3
0.541
MAT-POS-be048f2c-1
0.540
BRU-THA-d60fe444-1
0.538
BRU-THA-98e973b9-1
0.538
MAT-POS-4223bc15-13
0.538
MAT-POS-4223bc15-29
0.538
DAR-DIA-d8bd013f-1
0.538
DAR-DIA-d8bd013f-3
0.538
MAT-POS-5cd9ea36-14
0.538
MAT-POS-5cd9ea36-24
0.538
EDJ-MED-12c4873b-1
0.538
BEN-DND-32596b04-7
0.534