Molecular Properties | |
SMILES: | CNC(=O)CN1C(=O)c2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1C(F)(F)F |
MW: | 490.1 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 3.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
VLA-UNK-61877630-2
0.732
EDG-MED-ee636701-3
0.588
DAR-DIA-70d163b2-1
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EDG-MED-ee636701-2
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MAT-POS-a54ce14d-2
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MAT-POS-a54ce14d-3
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MAT-POS-acfe5bae-2
0.577
EDJ-MED-015fb6b4-2
0.577
MAT-POS-777f5926-1
0.545
MAT-POS-22e8b45a-4
0.545
EDG-MED-ee636701-1
0.541
DAR-DIA-70d163b2-3
0.535
LUO-POS-3f66b338-1
0.533
EDJ-MED-12c4873b-4
0.533
EDJ-MED-43f8f7d6-1
0.533
EDJ-MED-eb111c00-1
0.529
MIC-UNK-91acba05-2
0.529
RAL-THA-a9c31980-4
0.527
EDJ-MED-c99b2211-2
0.527
JOH-UNI-6b98e24c-2
0.527
PET-UNK-f860268d-2
0.524
PET-UNK-f860268d-5
0.524
MAT-POS-e2d70d27-1
0.523
RAL-THA-a9c31980-8
0.522
EDJ-MED-eb111c00-3
0.519
MIC-UNK-482af05e-3
0.519
PET-UNK-4d432d33-1
0.514
PET-UNK-4d432d33-5
0.514
LUO-POS-8701f4c8-1
0.514
EDJ-MED-12c4873b-2
0.514
EDJ-MED-43f8f7d6-2
0.514
RAL-THA-a9c31980-1
0.514
LUO-POS-868e8996-3
0.514
LUO-POS-868e8996-4
0.514
EDJ-MED-c99b2211-1
0.513
MIC-UNK-482af05e-4
0.509
PET-UNK-c7ac4d9e-1
0.509
PET-UNK-c7ac4d9e-2
0.509
RAL-THA-5e0a6f1a-1
0.509
EDJ-MED-43f8f7d6-3
0.509
RAL-THA-a9c31980-3
0.509
JOH-UNI-6b98e24c-1
0.509
DAR-DIA-0d514e7d-34
0.505
DAR-DIA-0d514e7d-35
0.505
PET-UNK-4d432d33-6
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EDJ-MED-0047eae5-1
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PET-UNK-4d432d33-2
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MAT-POS-acfe5bae-3
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EDJ-MED-2791eece-5
0.505
EDJ-MED-eb111c00-4
0.505
RAL-THA-a9c31980-5
0.504
ALP-POS-b3e0acc5-1
0.500
MAT-POS-2e8b2191-7
0.500
EDJ-MED-43f8f7d6-4
0.496
MAT-POS-8293a91a-5
0.495
MAT-POS-8293a91a-4
0.495
MAT-POS-4223bc15-23
0.495
DAR-DIA-0d514e7d-33
0.495
DAR-DIA-70d163b2-2
0.495
DAR-DIA-0d514e7d-36
0.495
RAL-THA-a9c31980-6
0.491
EDJ-MED-eb111c00-2
0.491
RAL-THA-8416115c-10
0.491
MAR-UCB-6ab2ec87-2
0.490
EDJ-MED-968bafd9-1
0.487
RAL-THA-a9c31980-2
0.487
EDJ-MED-0047eae5-2
0.486
EDJ-MED-e4b030d8-6
0.486
MAK-UNK-8be7dca9-3
0.486
ADA-UCB-dc2b944c-14
0.486
EDJ-MED-e4b030d8-11
0.486
ADA-UCB-dc2b944c-13
0.486
BRU-THA-01b12488-1
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MAT-POS-8a69d52e-6
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MAT-POS-8a69d52e-7
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MAT-POS-8a69d52e-4
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MAT-POS-8a69d52e-5
0.486
EDG-MED-ee636701-4
0.483
PET-UNK-37251634-6
0.483
PET-UNK-37251634-14
0.483
EDJ-MED-43f8f7d6-6
0.483
EDJ-MED-43f8f7d6-7
0.482
DAR-DIA-9f765dc6-8
0.482
DAR-DIA-9f765dc6-9
0.482
EDJ-MED-43f8f7d6-8
0.482
EDJ-MED-12c4873b-8
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RAL-THA-8f106089-1
0.482
RAL-THA-8f106089-2
0.482
RAL-THA-8f106089-3
0.482
RAL-THA-8f106089-4
0.482
DAR-DIA-9f765dc6-7
0.482
EDJ-MED-12c4873b-6
0.482
RAL-THA-a9c31980-9
0.479
PET-UNK-8f269638-1
0.478
PET-UNK-8f269638-2
0.478
LUO-POS-868e8996-6
0.478
MAT-POS-853c0ffa-2
0.478
ALP-POS-e266d783-1
0.478
EDJ-MED-43f8f7d6-5
0.478
LUO-POS-868e8996-5
0.478