Molecular Properties | |
SMILES: | N#CCN1C[C@@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O |
MW: | 390.09 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 86.09 |
cLogP: | 3.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N-C-Hal or cyano methyl
cyanamide
PET-UNK-4d432d33-2
1.000
PET-UNK-4d432d33-1
0.890
PET-UNK-4d432d33-5
0.890
PET-UNK-f860268d-2
0.800
PET-UNK-f860268d-5
0.800
EDJ-MED-eb111c00-3
0.791
MIC-UNK-482af05e-4
0.773
PET-UNK-c671f938-6
0.767
PET-UNK-c671f938-2
0.767
RAL-THA-5e0a6f1a-1
0.767
MAT-POS-acfe5bae-2
0.764
MAT-POS-a54ce14d-3
0.764
EDJ-MED-015fb6b4-2
0.764
EDJ-MED-eb111c00-4
0.764
MIC-UNK-482af05e-3
0.764
MAT-POS-a54ce14d-2
0.764
PET-UNK-c7ac4d9e-1
0.747
PET-UNK-c7ac4d9e-2
0.747
EDJ-MED-eb111c00-2
0.739
PET-UNK-c671f938-1
0.736
PET-UNK-c671f938-5
0.736
ALP-POS-b3e0acc5-1
0.731
RAL-THA-a9c31980-4
0.731
LUO-POS-868e8996-4
0.731
RAL-THA-a9c31980-1
0.731
EDJ-MED-c99b2211-2
0.731
LUO-POS-868e8996-3
0.731
RAL-THA-a9c31980-3
0.723
JOH-UNI-6b98e24c-1
0.723
EDJ-MED-43f8f7d6-3
0.723
EDJ-MED-43f8f7d6-4
0.723
PET-UNK-37251634-12
0.719
PET-UNK-37251634-3
0.719
PET-UNK-37251634-4
0.719
PET-UNK-37251634-11
0.719
RAL-THA-a9c31980-5
0.716
RAL-THA-a9c31980-6
0.716
EDJ-MED-eb111c00-1
0.713
MIC-UNK-91acba05-2
0.713
EDJ-MED-cc48ee33-6
0.711
PET-UNK-37251634-5
0.711
PET-UNK-37251634-13
0.711
PET-UNK-37251634-16
0.708
EDJ-MED-c99b2211-1
0.708
PET-UNK-37251634-8
0.708
RAL-THA-a9c31980-2
0.708
PET-UNK-37251634-1
0.708
PET-UNK-37251634-9
0.708
RAL-THA-a9c31980-8
0.701
PET-UNK-37251634-7
0.701
PET-UNK-37251634-14
0.701
PET-UNK-37251634-2
0.701
PET-UNK-37251634-6
0.701
PET-UNK-37251634-10
0.701
PET-UNK-37251634-15
0.701
EDJ-MED-43f8f7d6-6
0.701
PET-UNK-c671f938-3
0.695
PET-UNK-c671f938-7
0.695
PET-UNK-d62a9a75-2
0.694
PET-UNK-d62a9a75-1
0.694
PET-UNK-d62a9a75-4
0.694
RAL-THA-a9c31980-9
0.694
PET-UNK-d62a9a75-3
0.694
PET-UNK-c671f938-4
0.684
PET-UNK-c671f938-8
0.684
EDJ-MED-0047eae5-1
0.674
EDJ-MED-43f8f7d6-8
0.674
EDJ-MED-12c4873b-8
0.674
RAL-THA-8f106089-1
0.674
RAL-THA-8f106089-2
0.674
MAT-POS-acfe5bae-3
0.670
EDJ-MED-12c4873b-4
0.670
EDJ-MED-43f8f7d6-1
0.670
LUO-POS-3f66b338-1
0.670
ALP-POS-c56c1477-3
0.660
EDJ-MED-0047eae5-2
0.646
MAT-POS-acfe5bae-4
0.641
TET-ENA-df1c4375-1
0.641
RAL-THA-8f106089-4
0.639
EDJ-MED-12c4873b-6
0.639
EDJ-MED-43f8f7d6-7
0.639
RAL-THA-8f106089-3
0.639
MAT-POS-e2d70d27-1
0.639
PET-UNK-162c14b2-1
0.638
MAT-POS-61f37a1a-12
0.638
PET-UNK-8f269638-2
0.630
PET-UNK-8f269638-1
0.630
JOH-UNI-6b98e24c-2
0.626
LUO-POS-8701f4c8-1
0.626
EDJ-MED-12c4873b-2
0.626
EDJ-MED-43f8f7d6-2
0.626
PET-UNK-5ad1c31a-1
0.612
PET-UNK-5ad1c31a-7
0.612
EDJ-MED-cc48ee33-1
0.608
EDJ-MED-41558c53-9
0.606
MAT-POS-4223bc15-33
0.606
EDJ-MED-968bafd9-1
0.606
EDJ-MED-0186a59b-6
0.602
LUO-POS-edefcc0e-1
0.602
LUO-POS-74179f4f-1
0.602