Molecular Properties | |
SMILES: | CN(C)c1cc2c(NC(=O)[C@@H]3CNC(=O)c4ccc(Cl)cc43)cncc2cc1F |
MW: | 412.11 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 74.33 |
cLogP: | 3.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-e9bc7c59-3
0.820
PET-UNK-7279c968-8
0.736
PET-UNK-b38839dc-13
0.736
PET-UNK-e9bc7c59-2
0.713
PET-UNK-7279c968-7
0.707
PET-UNK-fe31e24a-2
0.696
ALP-POS-6f6ae286-1
0.681
PET-UNK-7279c968-5
0.681
PET-UNK-b38839dc-14
0.670
PET-UNK-e9bc7c59-1
0.653
PET-UNK-7279c968-6
0.642
ALP-POS-f1807566-2
0.642
EDJ-MED-827e7cb4-1
0.642
PET-UNK-fe31e24a-1
0.642
MIC-UNK-91acba05-1
0.637
MAT-POS-865c3497-1
0.637
ROB-UNI-322e8f70-3
0.637
MAT-POS-22e8b45a-1
0.637
MAT-POS-865c3497-2
0.637
EDJ-MED-d9f3798e-1
0.616
PET-UNK-7279c968-4
0.606
PET-UNK-b38839dc-12
0.606
PET-UNK-7279c968-1
0.583
PET-UNK-7279c968-3
0.583
PET-UNK-ee8352fa-5
0.582
PET-UNK-7bb24635-5
0.580
PET-UNK-7279c968-2
0.574
PET-UNK-f9b7ae87-9
0.533
PET-UNK-e9bc7c59-6
0.533
PET-UNK-d899bab6-2
0.500
PET-UNK-329a9ce9-4
0.495
EDJ-MED-dd2a8363-3
0.490
PET-UNK-19e211a9-6
0.487
PET-UNK-09a29654-3
0.486
EDJ-MED-dd2a8363-4
0.481
EDJ-MED-dd2a8363-1
0.480
EDJ-MED-dd2a8363-5
0.476
DAR-DIA-9f765dc6-1
0.466
DAR-DIA-9f765dc6-4
0.466
DAR-DIA-9f765dc6-3
0.466
RAL-THA-5ed3c24e-3
0.459
PET-UNK-e9bc7c59-9
0.457
EDJ-MED-827e7cb4-7
0.451
PET-UNK-e9bc7c59-5
0.446
EDJ-MED-f9b78f78-5
0.446
MIC-UNK-8758c41d-2
0.437
DAR-DIA-9f765dc6-5
0.433
PET-UNK-b78139fa-6
0.433
DAR-DIA-9f765dc6-2
0.433
DAR-DIA-9f765dc6-6
0.433
EDJ-MED-827e7cb4-8
0.431
PET-UNK-fe31e24a-6
0.431
EDJ-MED-f9b78f78-2
0.429
EDJ-MED-f9b78f78-1
0.426
ERI-UCB-b3e6b0c2-2
0.421
PET-UNK-2c6614b6-7
0.421
PET-UNK-ee8352fa-2
0.420
MAR-UCB-6ab2ec87-1
0.417
ERI-UCB-b3e6b0c2-11
0.417
ERI-UCB-b3e6b0c2-16
0.416
ERI-UCB-b3e6b0c2-8
0.416
EDJ-MED-d165ed91-6
0.415
MAT-POS-af1eef35-3
0.415
BEN-DND-d6f8d3c6-1
0.415
EDJ-MED-e18764cb-2
0.415
ALP-POS-a577c8a2-1
0.415
EDJ-MED-827e7cb4-4
0.414
PET-UNK-b38839dc-4
0.414
JOH-UNI-d2a12aa9-2
0.413
PET-UNK-7bb24635-2
0.409
EDJ-MED-41558c53-9
0.407
PET-UNK-b38839dc-16
0.407
EDJ-MED-41558c53-11
0.405
PET-UNK-e9bc7c59-4
0.405
EDJ-MED-12c4873b-8
0.404
EDJ-MED-43f8f7d6-8
0.404
RAL-THA-8f106089-1
0.404
RAL-THA-8f106089-2
0.404
ALP-POS-f1807566-1
0.402
MAT-POS-acfe5bae-6
0.402
PET-UNK-b38839dc-10
0.402
EDJ-MED-d9f3798e-2
0.400
PET-UNK-81b485b5-8
0.400
PET-UNK-81b485b5-22
0.400
MAT-POS-e119ab4f-2
0.400
MAT-POS-c7726e07-3
0.400
MAT-POS-c7726e07-4
0.400
PET-UNK-329a9ce9-3
0.397
PET-UNK-09a29654-2
0.397
EDJ-MED-e69ed63d-11
0.395
PET-UNK-c671f938-1
0.395
PET-UNK-c671f938-5
0.395
PET-UNK-e9bc7c59-12
0.393
EDJ-MED-0186a59b-5
0.393
MAT-POS-e119ab4f-1
0.393
MAT-POS-c7726e07-1
0.393
MAT-POS-c7726e07-2
0.393
EDJ-MED-41558c53-1
0.393
EDJ-MED-e69ed63d-1
0.392
PET-UNK-f9b7ae87-8
0.391