Molecular Properties | |
SMILES: | Cc1ccncc1N(C(=O)Cc1cccc(Cl)c1)c1ocnc1CO |
MW: | 357.09 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.46 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
JAN-GHE-83b26c96-15
0.577
EDG-MED-0da5ad92-1
0.577
BAR-COM-ebf5acce-4
0.575
BAR-COM-ebf5acce-5
0.573
JOH-UNI-a38a7bdd-3
0.529
PET-UNK-bbe8d7ff-2
0.518
PET-UNK-bbe8d7ff-1
0.518
JOH-UNI-a38a7bdd-4
0.512
DAR-DIA-076fb6ea-2
0.512
DAR-DIA-56cf811e-2
0.512
DAR-DIA-076fb6ea-16
0.512
DAR-DIA-076fb6ea-7
0.506
BAR-COM-ebf5acce-7
0.500
JOH-UNI-a38a7bdd-9
0.500
JOH-UNI-a38a7bdd-8
0.495
BAR-COM-ebf5acce-2
0.495
BAR-COM-ebf5acce-3
0.494
JAN-GHE-d851b096-1
0.494
BAR-COM-ebf5acce-1
0.494
DAR-DIA-56cf811e-6
0.489
BAR-COM-ebf5acce-10
0.489
DAR-DIA-076fb6ea-6
0.489
BAR-COM-ebf5acce-15
0.489
BAR-COM-ebf5acce-12
0.484
DAR-DIA-076fb6ea-4
0.484
BAR-COM-ebf5acce-9
0.484
BAR-COM-ebf5acce-6
0.484
BAR-COM-ebf5acce-11
0.479
JOH-UNI-a38a7bdd-7
0.479
BAR-COM-ebf5acce-13
0.474
DAR-DIA-56cf811e-4
0.473
DAR-DIA-076fb6ea-13
0.468
BAR-COM-ebf5acce-14
0.463
VLA-UCB-05e51b3f-3
0.449
DAR-DIA-076fb6ea-10
0.446
DAR-DIA-076fb6ea-14
0.423
TRY-UNI-714a760b-6
0.407
MIC-UNK-67d4a29a-3
0.389
MIC-UNK-67d4a29a-4
0.381
JAN-GHE-83b26c96-16
0.378
JOH-UNI-50ce7ec3-6
0.375
EDG-MED-0da5ad92-6
0.375
EDG-MED-0da5ad92-15
0.375
PET-UNK-e8c7a26f-2
0.374
MIC-UNK-67d4a29a-1
0.368
MAT-POS-bb423b95-7
0.368
EDJ-MED-49816e9b-2
0.368
VLA-UCB-05e51b3f-17
0.361
PET-UNK-12d8d43f-2
0.360
PET-UNK-8df914d1-3
0.360
MAT-POS-bb423b95-5
0.359
JIN-POS-6dc588a4-3
0.359
MIC-UNK-67d4a29a-2
0.357
JOH-UNI-50ce7ec3-5
0.356
ALP-POS-95b75b4d-8
0.352
SAM-UNK-2684b532-13
0.352
EDG-MED-0da5ad92-17
0.352
JOH-UNI-3fc3434e-13
0.350
JOH-UNI-ee5ed7c8-13
0.350
JAN-GHE-5a013bed-8
0.345
PET-UNK-f92d7c0c-3
0.344
ALP-POS-f13221e1-4
0.344
RUB-POS-1325a9ea-19
0.344
RUB-POS-1325a9ea-11
0.344
EDG-MED-0da5ad92-18
0.341
EDJ-MED-b24713dc-2
0.340
TRY-UNI-714a760b-3
0.337
TRY-UNI-9f475305-7
0.337
JOH-UNI-50ce7ec3-2
0.337
JOH-UNI-3fc3434e-5
0.337
JOH-UNI-ee5ed7c8-5
0.337
ALP-UNI-44c99a80-4
0.336
JOH-UNI-ee5ed7c8-12
0.336
JOH-UNI-3fc3434e-12
0.336
ALP-POS-95b75b4d-6
0.333
ALP-POS-75715966-4
0.333
PET-UNK-6c2be958-1
0.333
JOH-UNI-a38a7bdd-1
0.333
MAK-UNK-6ca90168-23
0.333
JIN-POS-6dc588a4-6
0.333
PET-UNK-a692de38-1
0.333
MAT-POS-bb423b95-3
0.333
ALP-POS-0c2c77e1-1
0.333
PET-UNK-12d8d43f-1
0.333
PET-UNK-f92d7c0c-7
0.333
VLA-UCB-05e51b3f-15
0.333
ADA-UCB-6c2cb422-9
0.333
JOH-UNI-3fc3434e-9
0.330
JOH-UNI-ee5ed7c8-9
0.330
JIN-POS-6dc588a4-16
0.330
EDJ-MED-6e43a462-6
0.330
JAN-GHE-83b26c96-9
0.330
EDG-MED-0da5ad92-2
0.330
JOH-UNI-50ce7ec3-1
0.327
PET-UNK-5ecb6237-1
0.327
JOH-UNI-50ce7ec3-4
0.327
ABI-SAT-4d06482b-2
0.326
TRY-UNI-69298daf-1
0.324
JOH-UNI-50ce7ec3-3
0.324
BEN-DND-1e24cf73-7
0.324