Molecular Properties | |
SMILES: | COc1c[nH]nc1N(C(=O)Cc1cccc(Cl)c1)c1cnccc1C |
MW: | 356.1 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 71.11 |
cLogP: | 3.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
BAR-COM-ebf5acce-8
0.573
EDG-MED-0da5ad92-1
0.557
JAN-GHE-83b26c96-15
0.557
BAR-COM-ebf5acce-4
0.557
PET-UNK-bbe8d7ff-1
0.536
DAR-DIA-076fb6ea-2
0.529
DAR-DIA-56cf811e-2
0.529
PET-UNK-bbe8d7ff-2
0.518
DAR-DIA-076fb6ea-16
0.512
JOH-UNI-a38a7bdd-3
0.512
JOH-UNI-a38a7bdd-4
0.512
BAR-COM-ebf5acce-1
0.511
JAN-GHE-d851b096-1
0.511
DAR-DIA-076fb6ea-7
0.506
DAR-DIA-56cf811e-6
0.505
DAR-DIA-076fb6ea-4
0.500
BAR-COM-ebf5acce-3
0.494
DAR-DIA-076fb6ea-6
0.489
BAR-COM-ebf5acce-15
0.489
JOH-UNI-a38a7bdd-9
0.484
BAR-COM-ebf5acce-6
0.484
BAR-COM-ebf5acce-9
0.484
BAR-COM-ebf5acce-14
0.479
JOH-UNI-a38a7bdd-7
0.479
BAR-COM-ebf5acce-2
0.478
DAR-DIA-56cf811e-4
0.473
BAR-COM-ebf5acce-10
0.473
DAR-DIA-076fb6ea-13
0.468
JOH-UNI-a38a7bdd-8
0.463
DAR-DIA-076fb6ea-10
0.460
BAR-COM-ebf5acce-13
0.458
BAR-COM-ebf5acce-7
0.454
BAR-COM-ebf5acce-12
0.454
BAR-COM-ebf5acce-11
0.449
VLA-UCB-05e51b3f-3
0.449
MIC-UNK-67d4a29a-4
0.426
DAR-DIA-076fb6ea-14
0.423
TRY-UNI-714a760b-6
0.407
JIN-POS-6dc588a4-3
0.404
PET-UNK-12d8d43f-2
0.402
MIC-UNK-67d4a29a-3
0.389
VLA-UCB-05e51b3f-17
0.389
PET-UNK-e8c7a26f-2
0.389
MIC-UNK-67d4a29a-1
0.383
JAN-GHE-83b26c96-16
0.378
EDG-MED-0da5ad92-6
0.375
MAT-POS-bb423b95-7
0.368
TRY-UNI-69298daf-1
0.362
PET-UNK-6c2be958-1
0.361
VLA-UCB-05e51b3f-15
0.361
DAR-DIA-56cf811e-1
0.360
PET-UNK-a692de38-1
0.360
DAR-DIA-076fb6ea-1
0.360
VLA-UCB-05e51b3f-16
0.360
ALP-POS-75715966-4
0.360
ALP-POS-f13221e1-4
0.359
MIC-UNK-67d4a29a-2
0.357
DAR-DIA-076fb6ea-3
0.355
JOH-UNI-ee5ed7c8-13
0.350
JOH-UNI-50ce7ec3-2
0.350
JOH-UNI-3fc3434e-13
0.350
JOH-UNI-ee5ed7c8-5
0.350
JOH-UNI-3fc3434e-5
0.350
JIN-POS-6dc588a4-6
0.347
JOH-UNI-50ce7ec3-6
0.347
PET-UNK-12d8d43f-1
0.347
JOH-UNI-a38a7bdd-1
0.347
BEN-DND-1e24cf73-4
0.347
JOH-UNI-a38a7bdd-2
0.347
PET-UNK-8df914d1-3
0.344
EDG-MED-0da5ad92-15
0.344
JOH-UNI-a38a7bdd-5
0.343
PET-UNK-5ecb6237-1
0.340
JOH-UNI-50ce7ec3-1
0.340
DAR-DIA-56cf811e-5
0.340
ALP-UNI-44c99a80-1
0.340
JAN-GHE-5a013bed-9
0.337
ALP-POS-95b75b4d-8
0.337
SAM-UNK-2684b532-13
0.337
EDJ-MED-49816e9b-2
0.337
JIN-POS-6dc588a4-18
0.337
RUB-POS-1325a9ea-9
0.337
MIC-UNK-50cce87d-4
0.337
TRY-UNI-9f475305-7
0.337
DAR-DIA-076fb6ea-8
0.337
JOH-UNI-a38a7bdd-6
0.333
MAT-POS-c20a539d-2
0.333
MAK-UNK-6ca90168-23
0.333
ALP-POS-95b75b4d-6
0.333
ADA-UCB-6c2cb422-9
0.333
DAR-DIA-076fb6ea-11
0.330
DAR-DIA-076fb6ea-15
0.330
JOH-UNI-50ce7ec3-5
0.330
MAT-POS-f7918075-5
0.330
EDJ-MED-c8e7a002-16
0.330
RUB-POS-1325a9ea-19
0.330
MAT-POS-bb423b95-5
0.330
JAN-GHE-5a013bed-8
0.330
MIC-UNK-66895286-1
0.330
EDG-MED-0da5ad92-2
0.330