Molecular Properties | |
SMILES: | COc1cccc2cncc(NC(=O)Cc3cccc(Cl)c3)c12 |
MW: | 326.08 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 51.22 |
cLogP: | 4.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-50cce87d-4
1.000
RUB-POS-1325a9ea-2
0.667
RUB-POS-1325a9ea-3
0.667
MIC-UNK-50cce87d-3
0.667
MIC-UNK-50cce87d-1
0.667
MIC-UNK-50cce87d-2
0.662
JOH-UNI-ee5ed7c8-3
0.610
JOH-UNI-3fc3434e-3
0.610
JOH-UNI-3fc3434e-1
0.595
JOH-UNI-ee5ed7c8-1
0.595
MIC-UNK-67d4a29a-4
0.582
JIN-POS-6dc588a4-3
0.568
JOH-UNI-3fc3434e-2
0.565
JOH-UNI-ee5ed7c8-2
0.565
JIN-POS-6dc588a4-18
0.564
EDJ-MED-00c1612e-1
0.550
PET-UNK-8df914d1-1
0.550
PET-UNK-8df914d1-3
0.534
TRY-UNI-714a760b-3
0.520
ADA-UCB-6c2cb422-1
0.519
MAT-POS-bb423b95-8
0.519
JAN-GHE-5a013bed-10
0.514
MAT-POS-bb423b95-1
0.513
JIN-POS-6dc588a4-11
0.512
RUB-POS-1325a9ea-12
0.506
RUB-POS-1325a9ea-4
0.506
RUB-POS-1325a9ea-14
0.506
MAT-POS-bb423b95-2
0.500
JIN-POS-6dc588a4-14
0.500
MAT-POS-f7918075-5
0.500
TRY-UNI-714a760b-6
0.493
JIN-POS-6dc588a4-6
0.487
RUB-POS-1325a9ea-19
0.487
ABI-SAT-4d06482b-2
0.487
ALP-POS-95b75b4d-8
0.486
SAM-UNK-2684b532-13
0.486
MAT-POS-199e2e7c-1
0.481
RUB-POS-1325a9ea-5
0.481
RUB-POS-1325a9ea-11
0.481
JOH-UNI-abfda500-5
0.481
ANN-UNI-98d2bf15-3
0.481
ALP-POS-95b75b4d-6
0.480
JIN-POS-6dc588a4-23
0.476
MAK-UNK-ffc90da7-8
0.473
JIN-POS-6dc588a4-4
0.468
MAT-POS-bb423b95-5
0.468
SAM-UNK-2684b532-12
0.468
BEN-DND-a7517465-6
0.468
EDG-MED-0da5ad92-16
0.467
EDG-MED-0da5ad92-21
0.467
MIC-UNK-67d4a29a-3
0.464
JIN-POS-6dc588a4-10
0.463
JOH-UNI-abfda500-4
0.462
MIC-UNK-67d4a29a-2
0.459
EDJ-MED-a364e151-1
0.458
MAT-POS-f7918075-8
0.458
MIC-UNK-08cd9c58-1
0.458
MAT-POS-f7918075-3
0.458
RUB-POS-1325a9ea-15
0.458
MAT-POS-bb423b95-9
0.457
MAK-UNK-6ca90168-23
0.456
JIN-POS-6dc588a4-13
0.451
JIN-POS-6dc588a4-22
0.451
RUB-POS-1325a9ea-13
0.451
EDJ-MED-a364e151-3
0.451
MIC-UNK-d935700b-1
0.450
SAM-UNK-2684b532-11
0.450
JIN-POS-6dc588a4-12
0.446
JIN-POS-6dc588a4-24
0.446
JOH-UNI-6fede743-1
0.446
ALP-POS-95b75b4d-7
0.444
EDG-MED-0da5ad92-17
0.443
MAK-UNK-ffc90da7-3
0.442
MAK-UNK-ffc90da7-5
0.442
EDG-MED-0da5ad92-12
0.442
EDG-MED-0da5ad92-14
0.442
EDJ-MED-a364e151-2
0.440
RUB-POS-1325a9ea-8
0.440
MAT-POS-f7918075-4
0.440
MIC-UNK-8971c93c-1
0.440
MIC-UNK-67d4a29a-1
0.440
MAT-POS-bb423b95-4
0.439
RUB-POS-1325a9ea-17
0.439
ALP-POS-95b75b4d-5
0.439
EDJ-MED-c8e7a002-12
0.439
JIN-POS-6dc588a4-20
0.437
MAT-POS-14ad9fe9-1
0.437
RUB-POS-1325a9ea-1
0.435
MAT-POS-f7918075-7
0.435
MAT-POS-bb423b95-3
0.434
ALP-POS-0c2c77e1-1
0.434
JAN-GHE-5a013bed-6
0.432
JAN-GHE-5a013bed-9
0.432
PET-UNK-8df914d1-4
0.429
MAK-UNK-ffc90da7-6
0.429
EDG-MED-0da5ad92-13
0.429
AGN-NEW-c7b24fe3-5
0.425
EDJ-MED-49816e9b-3
0.423
JAN-GHE-5a013bed-8
0.421
EDG-MED-0da5ad92-2
0.421