Molecular Properties | |
SMILES: | CNC(=O)C(C(C)C)N1C[C@@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O |
MW: | 464.16 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 91.4 |
cLogP: | 3.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-f6031113-21
0.745
EDJ-MED-eb111c00-1
0.677
MIC-UNK-91acba05-2
0.677
MAT-POS-a54ce14d-2
0.673
MAT-POS-acfe5bae-2
0.673
EDJ-MED-015fb6b4-2
0.673
MAT-POS-a54ce14d-3
0.673
LUO-POS-8701f4c8-1
0.663
EDJ-MED-43f8f7d6-2
0.663
EDJ-MED-12c4873b-2
0.663
EDJ-MED-12c4873b-4
0.657
LUO-POS-3f66b338-1
0.657
EDJ-MED-43f8f7d6-1
0.657
BEN-DND-f6031113-22
0.650
EDJ-MED-eb111c00-3
0.643
EDJ-MED-0047eae5-1
0.643
RAL-THA-a9c31980-3
0.641
JOH-UNI-6b98e24c-1
0.641
EDJ-MED-43f8f7d6-3
0.641
MIC-UNK-482af05e-3
0.640
MAT-POS-acfe5bae-3
0.640
PET-UNK-f860268d-2
0.633
PET-UNK-f860268d-5
0.633
MIC-UNK-482af05e-4
0.630
MAT-POS-e2d70d27-1
0.627
PET-UNK-4d432d33-2
0.626
PET-UNK-4d432d33-6
0.626
EDJ-MED-eb111c00-4
0.624
PET-UNK-4d432d33-5
0.620
PET-UNK-4d432d33-1
0.620
EDJ-MED-0047eae5-2
0.618
RAL-THA-a9c31980-1
0.615
ALP-POS-b3e0acc5-1
0.615
EDJ-MED-c99b2211-2
0.615
RAL-THA-a9c31980-4
0.615
LUO-POS-868e8996-3
0.615
LUO-POS-868e8996-4
0.615
EDJ-MED-c99b2211-1
0.613
RAL-THA-5e0a6f1a-1
0.612
PET-UNK-c7ac4d9e-1
0.612
PET-UNK-c7ac4d9e-2
0.612
DAR-DIA-d8bd013f-8
0.610
DAR-DIA-d8bd013f-7
0.610
EDJ-MED-eb111c00-2
0.606
RAL-THA-a9c31980-5
0.604
RAL-THA-a9c31980-2
0.598
EDJ-MED-12c4873b-8
0.596
RAL-THA-8f106089-1
0.596
EDJ-MED-43f8f7d6-8
0.596
EDJ-MED-43f8f7d6-7
0.596
EDJ-MED-12c4873b-6
0.596
RAL-THA-8f106089-2
0.596
RAL-THA-8f106089-3
0.596
RAL-THA-8f106089-4
0.596
EDJ-MED-43f8f7d6-4
0.594
DAR-DIA-d8bd013f-6
0.589
DAR-DIA-d8bd013f-5
0.589
RAL-THA-a9c31980-6
0.589
EDJ-MED-cc48ee33-6
0.587
PET-UNK-d62a9a75-1
0.587
PET-UNK-d62a9a75-2
0.587
PET-UNK-d62a9a75-3
0.587
PET-UNK-d62a9a75-4
0.587
EDJ-MED-cc48ee33-1
0.583
PET-UNK-37251634-16
0.583
PET-UNK-37251634-8
0.583
BEN-DND-f6031113-20
0.583
EDJ-MED-968bafd9-1
0.582
PET-UNK-37251634-15
0.578
RAL-THA-a9c31980-8
0.578
PET-UNK-37251634-6
0.578
PET-UNK-37251634-7
0.578
PET-UNK-37251634-14
0.578
EDJ-MED-43f8f7d6-6
0.578
PET-UNK-8f269638-2
0.574
PET-UNK-8f269638-1
0.574
RAL-THA-a9c31980-9
0.573
PET-UNK-37251634-1
0.569
PET-UNK-37251634-9
0.569
PET-UNK-37251634-2
0.564
PET-UNK-37251634-3
0.564
PET-UNK-37251634-4
0.564
PET-UNK-37251634-10
0.564
PET-UNK-37251634-11
0.564
PET-UNK-37251634-12
0.564
BEN-DND-f6031113-17
0.564
DAR-DIA-d8bd013f-3
0.561
DAR-DIA-d8bd013f-1
0.561
MAT-POS-5cd9ea36-14
0.561
ALP-POS-c56c1477-3
0.559
BEN-DND-f6031113-19
0.559
PET-UNK-37251634-13
0.559
PET-UNK-37251634-5
0.559
BEN-DND-f6031113-18
0.559
DAR-DIA-d8bd013f-2
0.550
EDJ-MED-c82a5324-1
0.550
DAR-DIA-d8bd013f-4
0.550
MAT-POS-acfe5bae-4
0.544
TET-ENA-df1c4375-1
0.544
BEN-DND-f6031113-23
0.542