Molecular Properties | |
SMILES: | O=C(CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3cc(F)ccc23)C1)NC1CC1 |
MW: | 452.14 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 74.33 |
cLogP: | 3.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-7889e8da-1
0.812
ALP-POS-6f6ae286-5
0.812
EDJ-MED-0186a59b-1
0.812
BEN-DND-f06bfa8e-2
0.812
MAT-POS-5cd9ea36-13
0.784
EDJ-MED-ede277f6-4
0.772
EDJ-MED-ede277f6-8
0.767
EDJ-MED-c82a5324-2
0.692
EDJ-MED-7889e8da-3
0.673
EDJ-MED-0186a59b-2
0.673
PET-UNK-03fd2068-4
0.647
EDJ-MED-ede277f6-9
0.639
EDJ-MED-e69ed63d-3
0.633
MAT-POS-4223bc15-23
0.631
MAT-POS-8293a91a-4
0.631
MAT-POS-8293a91a-5
0.631
PET-UNK-ff046148-4
0.630
PET-UNK-ff046148-2
0.624
EDJ-MED-7889e8da-5
0.624
EDJ-MED-0186a59b-3
0.624
EDJ-MED-7889e8da-2
0.622
EDJ-MED-be9e6f63-2
0.622
ALP-POS-1460fd94-1
0.613
EDJ-MED-c40d95bc-2
0.612
MAT-POS-4223bc15-25
0.612
MAT-POS-4223bc15-21
0.612
PET-UNK-ff046148-3
0.607
MAT-POS-b4d6b7fc-1
0.607
ALP-POS-6f6ae286-4
0.605
MAT-POS-4223bc15-22
0.604
JOH-UNI-ededfdb6-1
0.602
EDJ-MED-4f4dd660-1
0.602
MAT-POS-b4d6b7fc-3
0.596
EDJ-MED-ede277f6-6
0.596
MAT-POS-5cd9ea36-15
0.596
EDJ-MED-e69ed63d-9
0.593
PET-UNK-c6bcc80b-9
0.593
PET-UNK-c6bcc80b-2
0.593
EDJ-MED-ede277f6-10
0.591
EDJ-MED-4f4dd660-3
0.591
ALP-POS-6f6ae286-6
0.589
BEN-DND-f06bfa8e-3
0.589
MAT-POS-4223bc15-24
0.589
EDJ-MED-009f762b-5
0.587
EDJ-MED-4f4dd660-5
0.586
EDJ-MED-c82a5324-3
0.586
NIR-WEI-dcc3321b-6
0.580
EDJ-MED-ede277f6-1
0.578
MIC-UNK-482af05e-2
0.570
EDJ-MED-e9a22d5d-1
0.561
EDJ-MED-54fbebd8-3
0.561
MAT-POS-4223bc15-26
0.556
MAT-POS-97ec4bd1-3
0.553
EDJ-MED-e69ed63d-6
0.552
EDJ-MED-c40d95bc-1
0.552
MAT-POS-61f37a1a-12
0.551
PET-UNK-162c14b2-1
0.551
PET-UNK-162c14b2-2
0.550
MIC-UNK-482af05e-1
0.545
PET-UNK-c671f938-1
0.545
PET-UNK-c671f938-5
0.545
PET-UNK-5ba9a1cb-3
0.544
PET-UNK-1e13ef09-1
0.542
RAL-THA-ee48ba5f-5
0.541
MAT-POS-4223bc15-27
0.541
NIR-WEI-dcc3321b-5
0.541
RAL-THA-ee48ba5f-4
0.536
EDJ-MED-fa7708b3-1
0.536
MAT-UNK-35705829-1
0.536
RAL-THA-ee48ba5f-1
0.536
NIR-WEI-dcc3321b-2
0.532
MAT-UNK-f490e871-1
0.531
MAT-UNK-04ae9652-1
0.531
RAL-THA-ee48ba5f-2
0.531
MAT-POS-2e8b2191-10
0.530
MAT-POS-4223bc15-28
0.527
EDJ-MED-0186a59b-5
0.526
MAT-POS-c7726e07-1
0.526
MAT-POS-c7726e07-2
0.526
MAT-POS-e119ab4f-1
0.526
NIR-WEI-dcc3321b-1
0.524
NIR-WEI-dcc3321b-3
0.524
BRU-THA-d60fe444-1
0.523
CLI-TLC-36f34aa2-1
0.522
MAT-POS-24589f88-16
0.521
EDJ-MED-009f762b-1
0.521
EDJ-MED-009f762b-2
0.521
EDJ-MED-009f762b-3
0.521
MAT-POS-24589f88-5
0.521
MAT-POS-61f37a1a-5
0.521
NIR-WEI-dcc3321b-4
0.520
MAT-POS-4223bc15-6
0.518
MIC-UNK-51049f1a-4
0.518
PET-UNK-5ba9a1cb-2
0.517
ALF-EVA-0e90125c-9
0.517
MAT-POS-61f37a1a-13
0.517
EDJ-MED-009f762b-4
0.517
PET-UNK-af70882d-2
0.513
EDJ-MED-e69ed63d-7
0.513
EDJ-MED-e69ed63d-11
0.513