Molecular Properties | |
SMILES: | CNC(=O)[C@@H](CO)N1Cc2ccccc2[C@H](C(=O)Nc2cncc3ccccc23)C1 |
MW: | 404.18 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 94.56 |
cLogP: | 1.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-fa51d92c-14
0.758
DAR-DIA-d8bd013f-4
0.737
EDJ-MED-c82a5324-1
0.737
DAR-DIA-d8bd013f-2
0.737
BEN-DND-fa51d92c-11
0.732
BEN-DND-fa51d92c-21
0.728
BEN-DND-fa51d92c-12
0.724
BEN-DND-fa51d92c-13
0.724
BEN-DND-fa51d92c-22
0.720
BEN-DND-fa51d92c-15
0.650
EDJ-MED-54fbebd8-2
0.625
BEN-DND-fa51d92c-4
0.613
EDJ-MED-54fbebd8-1
0.602
DAR-DIA-d8bd013f-9
0.602
DAR-DIA-d8bd013f-10
0.602
BEN-DND-fa51d92c-1
0.602
BEN-DND-fa51d92c-3
0.596
BEN-DND-fa51d92c-24
0.596
BEN-DND-f6031113-23
0.594
BEN-DND-fa51d92c-5
0.587
EDJ-MED-54fbebd8-3
0.580
EDJ-MED-54fbebd8-4
0.574
DAR-DIA-d8bd013f-11
0.570
DAR-DIA-d8bd013f-12
0.570
EDJ-MED-139368ae-5
0.569
EDJ-MED-139368ae-2
0.560
EDJ-MED-54fbebd8-5
0.558
EDJ-MED-28cccd0c-2
0.558
DAR-DIA-d8bd013f-13
0.556
DAR-DIA-d8bd013f-14
0.556
DAR-DIA-d8bd013f-1
0.552
MAT-POS-5cd9ea36-14
0.552
DAR-DIA-d8bd013f-3
0.552
BEN-DND-fa51d92c-20
0.551
EDJ-MED-139368ae-3
0.548
BEN-DND-fa51d92c-7
0.546
DAR-DIA-d8bd013f-8
0.542
DAR-DIA-d8bd013f-7
0.542
EDJ-MED-139368ae-4
0.538
EDJ-MED-28cccd0c-4
0.538
DAR-DIA-d8bd013f-5
0.537
BEN-DND-fa51d92c-17
0.537
DAR-DIA-d8bd013f-6
0.537
EDJ-MED-28cccd0c-3
0.537
EDJ-MED-139368ae-1
0.533
BEN-DND-fa51d92c-18
0.532
BEN-DND-fa51d92c-10
0.532
BEN-DND-fa51d92c-2
0.532
BEN-DND-fa51d92c-9
0.527
BEN-DND-fa51d92c-19
0.527
BEN-DND-fa51d92c-6
0.523
EDJ-MED-28cccd0c-1
0.518
BEN-DND-f6031113-21
0.509
BEN-DND-f6031113-22
0.505
MAT-POS-4223bc15-23
0.500
MAT-POS-8293a91a-4
0.500
MAT-POS-8293a91a-5
0.500
CLI-TLC-3a13eaf2-1
0.491
MAT-POS-dd3ad2b5-5
0.491
MAT-POS-4223bc15-1
0.491
MAT-POS-dd3ad2b5-2
0.490
PET-UNK-9b23ef84-2
0.490
EDJ-MED-12c4873b-3
0.486
MAT-POS-dd3ad2b5-1
0.485
BEN-DND-f2e727cd-6
0.485
MAT-POS-4223bc15-35
0.481
EDJ-MED-c40d95bc-2
0.481
MAT-POS-4223bc15-21
0.481
MAT-POS-4223bc15-22
0.477
MAT-POS-4223bc15-6
0.477
MAT-POS-dd3ad2b5-4
0.476
RAL-THA-6e4c80cf-1
0.476
MAT-POS-24589f88-2
0.476
MAT-POS-4223bc15-19
0.476
MAT-POS-24589f88-3
0.476
MAT-POS-4223bc15-28
0.473
MIC-UNK-482af05e-2
0.472
MAT-POS-4223bc15-2
0.472
RAL-THA-ee48ba5f-5
0.472
BEN-DND-f6031113-24
0.472
MAT-POS-4223bc15-27
0.472
CLI-TLC-36f34aa2-1
0.469
EDJ-MED-fa7708b3-1
0.468
EDJ-MED-12c4873b-1
0.468
MAT-POS-4223bc15-29
0.468
RAL-THA-ee48ba5f-1
0.468
MAT-POS-4223bc15-13
0.468
MAT-POS-61f37a1a-12
0.467
MAT-POS-4223bc15-25
0.467
PET-UNK-162c14b2-1
0.467
MAT-POS-4223bc15-18
0.467
PET-UNK-af70882d-3
0.464
BEN-DND-fa51d92c-16
0.464
EDJ-MED-76744c27-5
0.464
MAT-UNK-f490e871-1
0.464
MAT-UNK-04ae9652-1
0.464
JOH-UNI-ededfdb6-1
0.464
JOH-UNI-6b98e24c-2
0.464
MAT-POS-4223bc15-24
0.464
RAL-THA-6e4c80cf-2
0.464