Molecular Properties | |
SMILES: | CNC(=O)CNCc1ccc(Cl)cc1NC(=O)Nc1cncc2cc(F)ccc12 |
MW: | 415.12 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 95.15 |
cLogP: | 3.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-a88ffd65-3
0.645
BEN-DND-a88ffd65-2
0.626
BEN-DND-a88ffd65-4
0.602
JIN-POS-6dc588a4-11
0.495
ALP-POS-d7944b10-2
0.485
MAT-POS-c7726e07-1
0.450
ALP-POS-6f6ae286-5
0.450
EDJ-MED-0186a59b-5
0.450
MAT-POS-c7726e07-2
0.450
EDJ-MED-7889e8da-1
0.450
BEN-DND-f06bfa8e-2
0.450
MAT-POS-e119ab4f-1
0.450
EDJ-MED-0186a59b-1
0.450
EDJ-MED-3bfd841e-1
0.442
BEN-DND-a88ffd65-5
0.441
EDG-MED-ee636701-2
0.438
JOH-UNI-06d7cc04-1
0.426
PET-UNK-03fd2068-1
0.419
BEN-DND-a88ffd65-6
0.415
PET-UNK-b78139fa-5
0.410
PET-UNK-407a74a5-9
0.409
PET-UNK-03fd2068-4
0.409
EDG-MED-b8f93667-3
0.409
PET-UNK-1e13ef09-1
0.407
PET-UNK-407a74a5-14
0.407
BEN-DND-f6031113-20
0.405
PET-UNK-ff046148-4
0.405
EDJ-MED-e69ed63d-13
0.403
PET-UNK-c671f938-1
0.402
PET-UNK-c671f938-5
0.402
BEN-DND-f6031113-7
0.402
EDJ-MED-e69ed63d-7
0.402
EDJ-MED-e69ed63d-11
0.402
EDJ-MED-e69ed63d-1
0.398
EDG-MED-b8f93667-5
0.398
EDJ-MED-b7309adf-1
0.398
ALP-POS-6f6ae286-1
0.398
PET-UNK-2c6614b6-5
0.398
PET-UNK-7279c968-5
0.398
MAT-POS-86c60949-1
0.398
BEN-DND-f6031113-14
0.397
BEN-DND-fa51d92c-20
0.397
PET-UNK-5d7c542f-1
0.396
PET-UNK-6da3dcd8-12
0.396
ALP-POS-6f6ae286-3
0.396
EDJ-MED-ede277f6-4
0.395
EDG-MED-b8f93667-7
0.395
PET-UNK-b78139fa-14
0.394
EDJ-MED-c3ea9889-6
0.394
PET-UNK-407a74a5-15
0.394
BEN-DND-fa51d92c-14
0.393
PET-UNK-4b4f2bb7-5
0.393
ALP-POS-6f6ae286-2
0.393
PET-UNK-6da3dcd8-11
0.391
MIC-UNK-9dc9fcd1-4
0.389
MAT-POS-c88128cb-13
0.387
EDJ-MED-ede277f6-7
0.387
EDJ-MED-e69ed63d-3
0.387
PET-UNK-6e612674-13
0.386
PET-UNK-bcc8fd08-3
0.386
PET-UNK-6e612674-5
0.386
PET-UNK-03fd2068-2
0.385
EDJ-MED-dac03e7f-6
0.385
ALP-POS-d7944b10-10
0.384
PET-UNK-407a74a5-10
0.384
EDG-MED-b8f93667-1
0.383
ALP-POS-6f6ae286-4
0.382
EDJ-MED-dac03e7f-8
0.382
EDJ-MED-dac03e7f-5
0.382
PET-UNK-407a74a5-16
0.382
PET-UNK-407a74a5-17
0.382
PET-UNK-407a74a5-18
0.382
BEN-DND-fa51d92c-7
0.381
PET-UNK-6da3dcd8-13
0.381
PET-UNK-b566c0b0-1
0.381
PET-UNK-f9b7ae87-5
0.381
PET-UNK-81b485b5-6
0.381
PET-UNK-81b485b5-20
0.381
PET-UNK-6e612674-1
0.381
PET-UNK-6e612674-9
0.381
BEN-DND-fa51d92c-4
0.380
EDJ-MED-e69ed63d-6
0.380
EDG-MED-ee636701-4
0.380
EDJ-MED-e69ed63d-9
0.380
EDJ-MED-e69ed63d-15
0.380
EDJ-MED-be9e6f63-2
0.380
EDJ-MED-7889e8da-2
0.380
PET-UNK-ff046148-3
0.380
EDJ-MED-e69ed63d-17
0.380
BEN-DND-f6031113-4
0.380
PET-UNK-03fd2068-9
0.379
PET-UNK-6da3dcd8-14
0.379
EDJ-MED-dac03e7f-7
0.379
PET-UNK-ff046148-2
0.378
RAL-THA-2d450e86-27
0.378
PET-UNK-03fd2068-6
0.377
JOH-UNI-06346b80-1
0.377
MAT-POS-90fd5f68-17
0.375
ALP-POS-d7944b10-8
0.375
ALP-POS-d7944b10-1
0.374