Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)cc(Cl)c2C1=O |
MW: | 456.08 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 3.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-9f765dc6-11
1.000
DAR-DIA-9f765dc6-12
1.000
DAR-DIA-9f765dc6-8
0.772
DAR-DIA-9f765dc6-9
0.772
DAR-DIA-9f765dc6-7
0.772
MAT-POS-a54ce14d-2
0.713
MAT-POS-a54ce14d-3
0.713
MAT-POS-acfe5bae-2
0.713
EDJ-MED-015fb6b4-2
0.713
EDJ-MED-015fb6b4-3
0.663
RAL-THA-a9c31980-4
0.618
EDJ-MED-c99b2211-2
0.618
PET-UNK-f860268d-5
0.602
PET-UNK-f860268d-2
0.602
LUO-POS-868e8996-3
0.602
RAL-THA-a9c31980-1
0.602
LUO-POS-868e8996-4
0.602
EDJ-MED-43f8f7d6-3
0.596
JOH-UNI-6b98e24c-1
0.596
RAL-THA-a9c31980-3
0.596
RAL-THA-a9c31980-5
0.590
EDJ-MED-c99b2211-1
0.585
RAL-THA-5e0a6f1a-1
0.583
PET-UNK-c7ac4d9e-1
0.583
PET-UNK-c7ac4d9e-2
0.583
EDJ-MED-43f8f7d6-4
0.581
RAL-THA-a9c31980-6
0.575
RAL-THA-a9c31980-2
0.570
DAR-DIA-9f765dc6-6
0.567
DAR-DIA-9f765dc6-5
0.567
DAR-DIA-9f765dc6-2
0.567
RAL-THA-a9c31980-8
0.565
EDJ-MED-43f8f7d6-6
0.565
LUO-POS-edefcc0e-1
0.563
LUO-POS-74179f4f-1
0.563
MIC-UNK-482af05e-3
0.563
EDJ-MED-0186a59b-6
0.563
RAL-THA-a9c31980-9
0.560
MAT-POS-8293a91a-5
0.553
MAT-POS-8293a91a-4
0.553
MIC-UNK-482af05e-4
0.553
MAT-POS-4223bc15-23
0.553
EDJ-MED-0186a59b-5
0.551
MAT-POS-e119ab4f-1
0.551
MAT-POS-c7726e07-1
0.551
MAT-POS-c7726e07-2
0.551
PET-UNK-4d432d33-2
0.549
PET-UNK-4d432d33-6
0.549
EDJ-MED-eb111c00-3
0.549
EDJ-MED-eb111c00-4
0.548
RAL-THA-8416115c-10
0.548
MAT-POS-e119ab4f-2
0.547
MAT-POS-c7726e07-3
0.547
MAT-POS-c7726e07-4
0.547
EDJ-MED-eb111c00-1
0.545
MIC-UNK-91acba05-2
0.545
PET-UNK-4d432d33-1
0.544
PET-UNK-4d432d33-5
0.544
MAT-POS-2e8b2191-7
0.543
ALP-POS-b3e0acc5-1
0.542
MIC-UNK-54748b58-1
0.538
LUO-POS-3f66b338-1
0.533
EDJ-MED-43f8f7d6-1
0.533
EDJ-MED-12c4873b-4
0.533
EDJ-MED-eb111c00-2
0.533
EDJ-MED-ce467fd5-1
0.532
EDJ-MED-827e7cb4-3
0.532
JOH-UNI-6b98e24c-2
0.528
MIC-UNK-54748b58-3
0.523
EDJ-MED-ce467fd5-4
0.523
MAT-POS-2e8b2191-12
0.523
PET-UNK-37251634-3
0.523
PET-UNK-37251634-11
0.523
EDJ-MED-0186a59b-7
0.523
ALP-POS-a577c8a2-2
0.520
EDJ-MED-0047eae5-1
0.519
MAT-POS-acfe5bae-3
0.519
MAT-POS-b4d6b7fc-2
0.518
CLI-TLC-3a13eaf2-1
0.514
LUO-POS-8701f4c8-1
0.514
EDJ-MED-43f8f7d6-2
0.514
EDJ-MED-12c4873b-2
0.514
MAT-POS-97ec4bd1-4
0.514
MAT-POS-b4d6b7fc-4
0.513
ALP-UNI-ba800595-1
0.510
MAR-UCB-6ab2ec87-6
0.510
MIC-UNK-54748b58-4
0.509
DAR-DIA-9f765dc6-16
0.509
DAR-DIA-9f765dc6-17
0.509
DAR-DIA-9f765dc6-18
0.509
PET-UNK-37251634-6
0.509
PET-UNK-37251634-14
0.509
MAR-UCB-6ab2ec87-7
0.505
MAT-POS-f39f51fd-1
0.505
PET-UNK-8f269638-1
0.505
PET-UNK-8f269638-2
0.505
PET-UNK-d62a9a75-2
0.504
EDJ-MED-cc48ee33-6
0.504
PET-UNK-d62a9a75-4
0.504
BEN-DND-34fc7f90-8
0.500