Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2[C@@H](C(=O)Nc2cncc3cc(Cl)ccc23)C1 |
MW: | 442.1 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 74.33 |
cLogP: | 3.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-0186a59b-2
1.000
ALP-POS-6f6ae286-5
0.833
EDJ-MED-7889e8da-1
0.833
BEN-DND-f06bfa8e-2
0.833
EDJ-MED-0186a59b-1
0.833
MAT-POS-4223bc15-23
0.807
MAT-POS-8293a91a-5
0.807
MAT-POS-8293a91a-4
0.807
EDJ-MED-0186a59b-3
0.806
EDJ-MED-7889e8da-5
0.806
MAT-POS-b4d6b7fc-1
0.800
ALP-POS-1460fd94-1
0.789
EDJ-MED-4f4dd660-1
0.773
MAT-POS-b4d6b7fc-3
0.765
EDJ-MED-4f4dd660-3
0.758
EDJ-MED-4f4dd660-5
0.750
PET-UNK-c6bcc80b-9
0.710
PET-UNK-c6bcc80b-2
0.710
EDJ-MED-ede277f6-4
0.700
MAT-POS-2e8b2191-10
0.700
MAT-POS-97ec4bd1-3
0.697
MAT-POS-5cd9ea36-15
0.684
EDJ-MED-ede277f6-6
0.680
MAT-POS-4223bc15-22
0.677
JOH-UNI-ededfdb6-1
0.673
MIC-UNK-51049f1a-4
0.673
EDJ-MED-ede277f6-7
0.673
MAT-POS-4223bc15-25
0.670
MAT-POS-4223bc15-21
0.670
EDJ-MED-c40d95bc-2
0.670
EDJ-MED-c82a5324-2
0.670
EDJ-MED-c82a5324-3
0.670
EDJ-MED-ede277f6-8
0.663
MAT-POS-4223bc15-24
0.660
MAT-POS-5cd9ea36-13
0.657
EDJ-MED-0186a59b-4
0.657
NIR-WEI-dcc3321b-6
0.647
JOH-UNI-ededfdb6-4
0.626
MIC-UNK-51049f1a-3
0.625
MAT-POS-13080fc6-5
0.625
MAT-POS-13080fc6-6
0.619
EDJ-MED-7889e8da-4
0.618
EDJ-MED-be9e6f63-4
0.618
EDJ-MED-fa7708b3-1
0.614
JOH-UNI-ededfdb6-9
0.614
RAL-THA-ee48ba5f-1
0.614
EDJ-MED-e9a22d5d-1
0.612
MAT-UNK-f490e871-1
0.608
MAT-POS-4223bc15-27
0.606
RAL-THA-ee48ba5f-5
0.606
PET-UNK-162c14b2-1
0.602
MAT-POS-61f37a1a-12
0.602
LUO-POS-edefcc0e-1
0.600
EDJ-MED-0186a59b-6
0.600
LUO-POS-74179f4f-1
0.600
EDJ-MED-c40d95bc-1
0.598
MAT-UNK-35705829-1
0.598
MIC-UNK-482af05e-1
0.594
RAL-THA-ee48ba5f-2
0.592
MAT-UNK-04ae9652-1
0.592
MAT-POS-4223bc15-26
0.590
MIC-UNK-482af05e-2
0.590
MAT-POS-4223bc15-28
0.588
RAL-THA-ee48ba5f-4
0.584
NIR-WEI-dcc3321b-5
0.584
CLI-TLC-36f34aa2-1
0.581
NIR-WEI-dcc3321b-1
0.579
EDJ-MED-009f762b-5
0.577
NIR-WEI-dcc3321b-4
0.574
JOH-UNI-ededfdb6-2
0.573
MAT-POS-4223bc15-19
0.566
RAL-THA-6e4c80cf-1
0.566
MAT-POS-4223bc15-6
0.564
MAT-POS-dd3ad2b5-5
0.564
BEN-DND-f2e727cd-6
0.561
MAT-POS-dd3ad2b5-1
0.561
NIR-WEI-dcc3321b-2
0.559
PET-UNK-03fd2068-4
0.559
EDJ-MED-12c4873b-3
0.559
JOH-UNI-ededfdb6-6
0.557
RAL-THA-ee48ba5f-6
0.551
NIR-WEI-dcc3321b-3
0.551
EDJ-MED-fa7708b3-3
0.550
EDJ-MED-ede277f6-5
0.550
PET-UNK-9b23ef84-2
0.550
MAT-POS-24589f88-2
0.550
MAT-POS-24589f88-3
0.550
MAT-POS-dd3ad2b5-4
0.550
MAT-POS-dd3ad2b5-2
0.550
MAT-POS-4223bc15-1
0.549
RAL-THA-6e4c80cf-2
0.548
MAT-POS-4223bc15-20
0.548
CLI-TLC-3a13eaf2-1
0.548
PET-UNK-5ba9a1cb-2
0.546
PET-UNK-5ba9a1cb-3
0.546
ALF-EVA-0e90125c-9
0.546
EDJ-MED-fb79a796-1
0.545
DAR-DIA-d8bd013f-2
0.542
DAR-DIA-d8bd013f-4
0.542
EDJ-MED-c82a5324-1
0.542