Molecular Properties | |
SMILES: | Cc1ccncc1-n1c(=O)ccn(-c2cccc(Cl)c2)c1=O |
MW: | 313.06 |
Fraction sp3: | 0.06 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 56.89 |
cLogP: | 2.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-4dc48bbe-5
0.571
PET-UNK-4dc48bbe-4
0.544
JAG-UCB-cedd89ab-1
0.436
PET-UNK-94460c07-3
0.432
PET-UNK-5eca9d1d-3
0.420
PET-UNK-94460c07-4
0.402
PET-UNK-5eca9d1d-1
0.400
ADA-UCB-6c2cb422-6
0.395
MAK-UNK-9e4a73aa-31
0.371
VLA-UCB-00f2c2b3-5
0.369
VLA-UCB-1dbca3b4-4
0.365
ADA-UCB-6c2cb422-7
0.365
EDJ-MED-e66f2cc5-1
0.360
EDJ-MED-49816e9b-4
0.360
PET-UNK-7a31b064-3
0.360
ADA-UCB-6c2cb422-5
0.360
IND-SYN-2c708b29-1
0.358
PET-UNK-eda34f30-1
0.356
PET-UNK-7a31b064-4
0.348
EDJ-MED-e66f2cc5-2
0.345
EDJ-MED-49816e9b-6
0.337
ALP-POS-95b75b4d-11
0.330
PET-UNK-bbe8d7ff-2
0.315
DAR-DIA-56cf811e-2
0.311
STE-UNK-4e3fa4d2-1
0.309
DAR-DIA-2964957d-2
0.302
DAR-DIA-53551c05-3
0.299
TRY-UNI-714a760b-6
0.298
DAR-DIA-076fb6ea-16
0.297
DAR-DIA-5d6f1b43-2
0.297
BAR-COM-ebf5acce-14
0.296
EDG-MED-0da5ad92-3
0.294
BAR-COM-ebf5acce-13
0.293
JAN-GHE-83b26c96-15
0.291
EDG-MED-0da5ad92-1
0.291
MAK-UNK-f203cb68-18
0.291
KIM-UNI-60f168f5-2
0.289
JAN-GHE-83b26c96-21
0.289
JAN-GHE-83b26c96-25
0.287
KIM-UNI-60f168f5-7
0.287
KIM-UNI-60f168f5-8
0.287
JAN-GHE-83b26c96-18
0.286
BAR-COM-0f94fc3d-25
0.286
JAG-UCB-cedd89ab-8
0.286
TRY-UNI-714a760b-12
0.286
PET-UNK-bbe8d7ff-1
0.286
DAR-DIA-076fb6ea-7
0.284
ALP-POS-f13221e1-4
0.284
PET-UNK-94460c07-5
0.284
DAR-DIA-2964957d-8
0.283
JOH-UNI-a38a7bdd-3
0.283
SAM-UNK-2684b532-1
0.283
DAR-DIA-076fb6ea-2
0.283
JOH-UNI-a38a7bdd-4
0.283
EDJ-MED-49816e9b-1
0.282
MAK-UNK-6ca90168-24
0.282
KIM-UNI-60f168f5-9
0.281
KIM-UNI-60f168f5-10
0.281
JOH-UNI-a38a7bdd-9
0.281
JAN-GHE-83b26c96-20
0.281
EDG-MED-0da5ad92-11
0.281
AGN-NEW-63f62ae9-1
0.280
SAD-SAT-7d5528d9-18
0.280
DAR-DIA-0f7b7cd9-6
0.280
EDG-MED-0da5ad92-19
0.279
KIM-UNI-60f168f5-5
0.279
KIM-UNI-60f168f5-6
0.279
BAR-COM-ebf5acce-12
0.277
DAR-DIA-5d6f1b43-26
0.276
JAN-GHE-83b26c96-17
0.276
EDG-MED-0da5ad92-10
0.276
JAN-GHE-83b26c96-22
0.276
SAD-SAT-7d5528d9-7
0.276
DAR-DIA-56cf811e-4
0.276
MAT-POS-1e5f28a7-1
0.275
BAR-COM-ebf5acce-1
0.274
BAR-COM-ebf5acce-3
0.274
JAN-GHE-83b26c96-5
0.273
JAN-GHE-83b26c96-4
0.273
TRY-UNI-2eddb1ff-5
0.273
TRY-UNI-714a760b-18
0.273
BEN-VAN-5787f7d3-10
0.273
TRY-UNI-2eddb1ff-4
0.273
SAM-UNK-2684b532-2
0.272
DAR-DIA-5d6f1b43-33
0.271
BAR-COM-ebf5acce-15
0.271
DAR-DIA-076fb6ea-6
0.271
JOH-UNI-a38a7bdd-8
0.270
MAR-TRE-4b834d9a-26
0.270
JAN-GHE-83b26c96-9
0.270
JAN-GHE-83b26c96-23
0.270
EDG-MED-0da5ad92-5
0.270
BEN-VAN-5787f7d3-5
0.269
DAR-DIA-5d6f1b43-23
0.269
JAN-GHE-83b26c96-8
0.269
PET-UNK-94460c07-6
0.269
DAR-DIA-d6e5861b-10
0.269
BAR-COM-ebf5acce-6
0.268
BAR-COM-ebf5acce-9
0.268
DAR-DIA-5d6f1b43-3
0.268