Molecular Properties | |
SMILES: | CNC(=O)CCN1Cc2ccccc2C(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 388.19 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 74.33 |
cLogP: | 2.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-54fbebd8-4
0.703
EDJ-MED-54fbebd8-1
0.700
EDJ-MED-54fbebd8-3
0.674
EDJ-MED-54fbebd8-5
0.663
BEN-DND-fa51d92c-23
0.625
BEN-DND-fa51d92c-24
0.621
BEN-DND-fa51d92c-21
0.615
BEN-DND-fa51d92c-22
0.608
EDJ-MED-139368ae-5
0.592
EDJ-MED-139368ae-2
0.583
EDJ-MED-28cccd0c-2
0.580
EDJ-MED-139368ae-3
0.570
EDJ-MED-139368ae-4
0.560
EDJ-MED-28cccd0c-4
0.559
EDJ-MED-28cccd0c-3
0.558
MIC-UNK-482af05e-1
0.554
EDJ-MED-139368ae-1
0.554
MAT-POS-4223bc15-23
0.550
MAT-POS-8293a91a-5
0.550
MAT-POS-8293a91a-4
0.550
MAT-POS-4223bc15-28
0.549
EDJ-MED-28cccd0c-1
0.538
BEN-DND-a02b439d-3
0.524
MAT-POS-4223bc15-21
0.515
EDJ-MED-c40d95bc-2
0.515
EDJ-MED-e9a22d5d-1
0.510
MAT-POS-4223bc15-22
0.510
MAT-POS-dd3ad2b5-1
0.505
BEN-DND-f2e727cd-6
0.505
MAT-POS-4223bc15-27
0.505
RAL-THA-ee48ba5f-5
0.505
MAT-POS-5cd9ea36-15
0.505
CLI-TLC-36f34aa2-1
0.500
RAL-THA-ee48ba5f-1
0.500
BEN-DND-a02b439d-2
0.500
MAT-POS-61f37a1a-12
0.500
PET-UNK-162c14b2-1
0.500
EDJ-MED-fa7708b3-1
0.500
MAT-POS-4223bc15-25
0.500
BEN-DND-f6031113-21
0.500
MAT-UNK-04ae9652-1
0.495
MAT-UNK-f490e871-1
0.495
JOH-UNI-ededfdb6-1
0.495
MAT-POS-4223bc15-24
0.495
BEN-DND-f6031113-23
0.495
BEN-DND-f6031113-22
0.495
MAT-POS-dd3ad2b5-5
0.495
MAT-POS-4223bc15-19
0.495
RAL-THA-6e4c80cf-1
0.495
BEN-DND-a02b439d-15
0.495
BEN-DND-34fc7f90-8
0.495
MAT-POS-4223bc15-26
0.490
MIC-UNK-482af05e-2
0.490
EDJ-MED-12c4873b-3
0.490
MAT-POS-5cd9ea36-14
0.486
MAT-UNK-35705829-1
0.486
DAR-DIA-d8bd013f-3
0.486
DAR-DIA-d8bd013f-1
0.486
EDJ-MED-12c4873b-1
0.486
MAT-POS-a54ce14d-2
0.486
MAT-POS-acfe5bae-2
0.486
MAT-POS-a54ce14d-3
0.486
RAL-THA-ee48ba5f-4
0.486
EDJ-MED-015fb6b4-2
0.486
EDJ-MED-c82a5324-3
0.482
PET-UNK-5ba9a1cb-3
0.482
BEN-DND-fa51d92c-14
0.482
RAL-THA-ee48ba5f-2
0.481
MAT-POS-5cd9ea36-13
0.481
MAT-POS-2e8b2191-7
0.481
RAL-THA-6e4c80cf-2
0.481
CLI-TLC-3a13eaf2-1
0.481
MAT-POS-4223bc15-20
0.481
MAT-POS-4223bc15-1
0.481
MAT-POS-4223bc15-6
0.481
BEN-DND-a02b439d-1
0.481
MAT-POS-dd3ad2b5-4
0.480
MAT-POS-24589f88-3
0.480
MAT-POS-24589f88-2
0.480
PET-UNK-9b23ef84-2
0.480
MAT-POS-dd3ad2b5-2
0.480
NIR-WEI-dcc3321b-6
0.477
EDJ-MED-c82a5324-1
0.477
DAR-DIA-d8bd013f-4
0.477
DAR-DIA-d8bd013f-2
0.477
MAT-POS-5cd9ea36-17
0.477
BEN-DND-f6031113-24
0.476
MAT-POS-4223bc15-2
0.476
MAT-POS-64942dd0-3
0.476
MAR-UCB-6ab2ec87-6
0.475
MAT-POS-4223bc15-37
0.473
BEN-DND-fa51d92c-20
0.473
MAT-POS-4223bc15-41
0.472
MAT-POS-4223bc15-29
0.472
PET-UNK-9b23ef84-3
0.471
MAT-POS-4223bc15-18
0.471
ALP-POS-a577c8a2-2
0.471
EDJ-MED-c82a5324-2
0.468
BEN-DND-fa51d92c-7
0.468
PET-UNK-5ba9a1cb-2
0.468