Molecular Properties | |
SMILES: | CN(C)C(=O)CN1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccc(F)cc23)C1 |
MW: | 440.14 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.54 |
cLogP: | 3.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-dd3ad2b5-4
MAT-POS-4223bc15-24
0.774
PET-UNK-162c14b2-2
0.745
EDJ-MED-670ad2ee-8
0.701
EDJ-MED-841e0cf0-6
0.701
EDJ-MED-670ad2ee-7
0.701
MAT-POS-24589f88-16
0.696
EDJ-MED-009f762b-1
0.696
PET-UNK-03fd2068-3
0.695
EDJ-MED-009f762b-2
0.692
MAT-POS-24589f88-5
0.692
EDJ-MED-009f762b-4
0.689
MAT-POS-61f37a1a-13
0.689
EDJ-MED-009f762b-3
0.676
MAT-POS-61f37a1a-5
0.676
EDJ-MED-841e0cf0-5
0.673
EDJ-MED-841e0cf0-7
0.673
EDJ-MED-670ad2ee-5
0.673
EDJ-MED-670ad2ee-6
0.673
EDJ-MED-670ad2ee-9
0.673
EDJ-MED-670ad2ee-10
0.673
MAT-POS-81ae2990-3
0.632
MAT-POS-8293a91a-5
0.630
MAT-POS-8293a91a-4
0.630
MAT-POS-4223bc15-23
0.630
EDJ-MED-c40d95bc-2
0.626
MAT-POS-4223bc15-25
0.626
MAT-POS-4223bc15-21
0.626
MAT-POS-b4d6b7fc-9
0.626
MAT-POS-81ae2990-9
0.626
ALP-POS-6f6ae286-5
0.625
EDJ-MED-7889e8da-1
0.625
BEN-DND-f06bfa8e-2
0.625
EDJ-MED-0186a59b-1
0.625
MAT-POS-97ec4bd1-3
0.623
MAT-POS-4223bc15-22
0.618
MAT-POS-81ae2990-6
0.615
MAT-POS-2e8b2191-10
0.611
JOH-UNI-ededfdb6-1
0.600
EDJ-MED-c82a5324-3
0.598
EDJ-MED-ede277f6-4
0.596
MAT-POS-5cd9ea36-15
0.594
EDJ-MED-ede277f6-7
0.587
MAT-POS-5cd9ea36-13
0.585
RAL-THA-ee48ba5f-2
0.585
RAL-THA-ee48ba5f-5
0.583
MIC-UNK-482af05e-2
0.583
NIR-WEI-dcc3321b-6
0.578
EDJ-MED-0186a59b-2
0.577
EDJ-MED-7889e8da-3
0.577
PET-UNK-c6bcc80b-9
0.577
EDJ-MED-c40d95bc-1
0.577
PET-UNK-c6bcc80b-2
0.577
EDJ-MED-c82a5324-2
0.569
PET-UNK-5ba9a1cb-3
0.569
MAT-POS-4223bc15-26
0.567
MAT-POS-4223bc15-27
0.567
PET-UNK-162c14b2-1
0.563
MAT-POS-61f37a1a-12
0.563
EDJ-MED-fa7708b3-1
0.561
RAL-THA-ee48ba5f-1
0.561
EDJ-MED-e9a22d5d-1
0.558
MIC-UNK-482af05e-1
0.557
MAT-POS-b4d6b7fc-3
0.553
MAT-POS-4223bc15-28
0.551
PET-UNK-1b92fa34-2
0.549
MAT-POS-4223bc15-18
0.548
RAL-THA-ee48ba5f-4
0.547
MAT-POS-c7726e07-3
0.546
MAT-POS-c7726e07-4
0.546
MAT-UNK-35705829-1
0.546
MAT-POS-e119ab4f-2
0.546
CLI-TLC-36f34aa2-1
0.545
MAT-POS-78ab8081-6
0.543
PET-UNK-19e211a9-10
0.543
EDJ-MED-4f4dd660-5
0.543
FRA-DIA-6238d354-2
0.543
MAT-UNK-04ae9652-1
0.541
MAT-UNK-f490e871-1
0.541
PET-UNK-ff046148-4
0.541
MAT-POS-4223bc15-2
0.538
PET-UNK-03fd2068-4
0.538
EDJ-MED-7889e8da-5
0.536
EDJ-MED-0186a59b-3
0.536
MAT-POS-b4d6b7fc-1
0.535
MAT-POS-64942dd0-2
0.533
PET-UNK-03fd2068-5
0.533
NIR-WEI-dcc3321b-4
0.529
MAT-POS-24589f88-2
0.529
MAT-POS-24589f88-3
0.529
MAT-POS-dd3ad2b5-4
0.529
MAT-POS-4223bc15-6
0.528
EDJ-MED-1b5395f9-4
0.528
EDJ-MED-1b5395f9-5
0.528
EDJ-MED-1b5395f9-6
0.528
PET-UNK-af70882d-3
0.527
PET-UNK-5ba9a1cb-2
0.527
ALP-POS-1460fd94-1
0.526
BEN-DND-f2e727cd-6
0.524
MAT-POS-dd3ad2b5-1
0.524
PET-UNK-d61f3ea6-2
0.523