Molecular Properties | |
SMILES: | CNC(=O)C1(N2Cc3ccccc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CC1 |
MW: | 400.19 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 74.33 |
cLogP: | 3.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-12c4873b-1
0.731
EDJ-MED-54fbebd8-2
0.621
BEN-DND-fa51d92c-22
0.612
BEN-DND-fa51d92c-21
0.602
EDJ-MED-54fbebd8-1
0.598
BEN-DND-fa51d92c-23
0.596
BEN-DND-f6031113-24
0.586
EDJ-MED-54fbebd8-3
0.576
EDJ-MED-139368ae-2
0.571
EDJ-MED-54fbebd8-4
0.570
EDJ-MED-139368ae-5
0.564
EDJ-MED-139368ae-3
0.559
EDJ-MED-28cccd0c-2
0.553
EDJ-MED-54fbebd8-5
0.553
EDJ-MED-139368ae-4
0.549
EDJ-MED-28cccd0c-3
0.547
EDJ-MED-139368ae-1
0.544
EDJ-MED-28cccd0c-4
0.533
EDJ-MED-12c4873b-2
0.514
LUO-POS-8701f4c8-1
0.514
EDJ-MED-43f8f7d6-2
0.514
EDJ-MED-28cccd0c-1
0.514
MAT-POS-dd3ad2b5-1
0.495
BEN-DND-f2e727cd-6
0.495
BEN-DND-f6031113-21
0.491
BEN-DND-f6031113-22
0.486
MAT-POS-dd3ad2b5-5
0.486
BEN-DND-34fc7f90-8
0.485
BEN-DND-a02b439d-15
0.485
MAT-POS-4223bc15-23
0.481
MAT-POS-8293a91a-4
0.481
MAT-POS-8293a91a-5
0.481
EDJ-MED-12c4873b-3
0.481
MAT-POS-4223bc15-18
0.476
BEN-DND-f6031113-23
0.472
CLI-TLC-3a13eaf2-1
0.472
MAT-POS-4223bc15-1
0.472
RAL-THA-6e4c80cf-1
0.471
MAT-POS-24589f88-3
0.471
MAT-POS-dd3ad2b5-2
0.471
MAT-POS-4223bc15-19
0.471
PET-UNK-9b23ef84-2
0.471
MAT-POS-24589f88-2
0.471
MAT-POS-dd3ad2b5-4
0.471
MAT-POS-4223bc15-2
0.467
MAT-POS-4223bc15-27
0.467
DAR-DIA-d8bd013f-6
0.464
DAR-DIA-d8bd013f-5
0.464
DAR-DIA-d8bd013f-1
0.464
DAR-DIA-d8bd013f-3
0.464
MAT-POS-5cd9ea36-14
0.464
MAT-POS-4223bc15-29
0.464
BEN-DND-a02b439d-2
0.462
EDJ-MED-c40d95bc-2
0.462
MAT-POS-4223bc15-21
0.462
BEN-DND-fa51d92c-7
0.460
MAT-UNK-04ae9652-1
0.459
MAT-UNK-f490e871-1
0.459
MAT-POS-4223bc15-3
0.458
MAT-POS-4223bc15-6
0.458
MAT-POS-dd3ad2b5-3
0.457
DAR-DIA-d8bd013f-2
0.455
DAR-DIA-d8bd013f-4
0.455
DAR-DIA-d8bd013f-7
0.455
EDJ-MED-c82a5324-1
0.455
DAR-DIA-d8bd013f-8
0.455
MAT-POS-4223bc15-28
0.455
RAL-THA-ee48ba5f-5
0.454
MAT-POS-4223bc15-26
0.454
PET-UNK-d61f3ea6-2
0.454
MAT-POS-5cd9ea36-18
0.452
BEN-DND-fa51d92c-20
0.451
MAR-UCB-6ab2ec87-6
0.451
EDJ-MED-fa7708b3-1
0.450
MAT-POS-4223bc15-41
0.450
RAL-THA-ee48ba5f-1
0.450
MAT-UNK-35705829-1
0.450
MAT-POS-4223bc15-13
0.450
BRU-THA-d60fe444-1
0.450
PET-UNK-162c14b2-1
0.449
MAT-POS-4223bc15-25
0.449
PET-UNK-9b23ef84-3
0.449
MAT-POS-61f37a1a-12
0.449
ALP-POS-a577c8a2-2
0.448
MAT-POS-4223bc15-40
0.447
MAT-POS-dd1fff26-2
0.447
MAT-POS-5cd9ea36-10
0.447
MAT-POS-dd1fff26-1
0.447
BEN-DND-fa51d92c-10
0.447
BEN-DND-fa51d92c-14
0.447
MAR-UCB-6ab2ec87-7
0.447
PET-UNK-af70882d-4
0.446
EDJ-MED-7f6e5b75-1
0.446
MAT-POS-4223bc15-20
0.445
RAL-THA-6e4c80cf-2
0.445
MAT-POS-4223bc15-24
0.445
MAT-POS-2e8b2191-7
0.445
BEN-DND-a02b439d-3
0.445
MAT-POS-4223bc15-22
0.445
MAT-POS-4223bc15-17
0.444