Molecular Properties | |
SMILES: | Cc1c(-c2ccnc(NC3CC3)n2)cn(-c2cccc(Cl)c2)c(=O)c1-c1cncc2ccccc12 |
MW: | 479.15 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 72.7 |
cLogP: | 6.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
branched_polycyclic_aromatic
DAR-DIA-5d6f1b43-27
0.790
DAR-DIA-5d6f1b43-30
0.625
DAR-DIA-5d6f1b43-32
0.585
DAR-DIA-5d6f1b43-31
0.585
DAR-DIA-5d6f1b43-33
0.583
DAR-DIA-5d6f1b43-25
0.574
DAR-DIA-5d6f1b43-24
0.522
DAR-DIA-5d6f1b43-28
0.492
DAR-DIA-5d6f1b43-22
0.461
DAR-DIA-5d6f1b43-18
0.431
DAR-DIA-5d6f1b43-20
0.429
DAR-DIA-5d6f1b43-2
0.417
DAR-DIA-5d6f1b43-23
0.415
DAR-DIA-5d6f1b43-26
0.408
DAR-DIA-5d6f1b43-9
0.377
DAR-DIA-5d6f1b43-21
0.374
PET-UNK-b870596d-2
0.365
DAR-DIA-5d6f1b43-15
0.364
PET-UNK-b870596d-1
0.360
DAR-DIA-5d6f1b43-14
0.355
DAR-DIA-5d6f1b43-19
0.354
DAR-DIA-5d6f1b43-17
0.352
DAR-DIA-5d6f1b43-16
0.350
PET-UNK-4dc48bbe-4
0.331
DAR-DIA-5d6f1b43-10
0.307
DAR-DIA-5d6f1b43-8
0.303
ERI-UCB-d6de1f3c-7
0.302
MIC-UNK-c5a20098-1
0.300
PET-UNK-7be94445-2
0.299
MIC-UNK-9582b2c5-3
0.299
MIC-UNK-02d7a284-3
0.296
DAR-DIA-5d6f1b43-7
0.296
MIC-UNK-cdc2493e-7
0.295
DAR-DIA-5d6f1b43-3
0.295
PET-UNK-7be94445-1
0.294
VLA-UCB-1dbca3b4-3
0.294
DAR-DIA-0f7b7cd9-7
0.294
DAR-DIA-f6ee7aeb-6
0.292
MAT-POS-54c4bf04-3
0.292
PET-UNK-c9c1e0d8-3
0.290
DAR-DIA-5d6f1b43-11
0.290
MIC-UNK-cdc2493e-21
0.290
PET-UNK-1320d94d-30
0.290
PET-UNK-1320d94d-29
0.290
MIC-UNK-cdc2493e-17
0.289
DAR-DIA-5d6f1b43-13
0.289
ERI-UCB-d6de1f3c-2
0.288
MIC-UNK-5a93dd5f-6
0.288
MIC-UNK-9582b2c5-2
0.287
MIC-UNK-cdc2493e-20
0.285
MIC-UNK-5a93dd5f-8
0.285
VLA-UCB-1dbca3b4-13
0.285
PET-UNK-94460c07-1
0.285
MIC-UNK-5a93dd5f-11
0.284
MIC-UNK-c5a20098-3
0.283
MIC-UNK-cdc2493e-18
0.282
MIC-UNK-cdc2493e-13
0.281
DAR-DIA-5d6f1b43-12
0.281
MIC-UNK-cdc2493e-11
0.281
DAR-DIA-b80f1cd7-2
0.281
ADA-UCB-6c2cb422-6
0.281
MIC-UNK-cdc2493e-9
0.280
MIC-UNK-c5a20098-2
0.280
DAR-DIA-2964957d-1
0.280
MIC-UNK-5a93dd5f-7
0.279
DAR-DIA-5d6f1b43-5
0.279
ERI-UCB-d6de1f3c-5
0.279
MIC-UNK-cdc2493e-10
0.278
MIC-UNK-5a93dd5f-4
0.278
MIC-UNK-5a93dd5f-9
0.278
DAR-DIA-5d6f1b43-6
0.277
MIC-UNK-cdc2493e-12
0.277
RAL-THA-05e671eb-18
0.277
MIC-UNK-5a93dd5f-1
0.277
MIC-UNK-5a93dd5f-10
0.276
NAU-LAT-a5c7d7cb-2
0.276
MIC-UNK-6ab519a7-1
0.276
NIR-THE-590dedc7-1
0.276
MIC-UNK-25b9c114-1
0.275
DAR-DIA-6a49afbe-4
0.275
PET-UNK-194f9da3-2
0.275
PET-UNK-c9c1e0d8-4
0.274
EDG-MED-5d232de5-8
0.274
EDG-MED-5d232de5-7
0.274
DAR-DIA-0f7b7cd9-5
0.274
GIA-UNK-80c9bc96-1
0.274
MIC-UNK-cdc2493e-6
0.273
DAR-DIA-0f7b7cd9-6
0.273
MIC-UNK-5a93dd5f-5
0.272
PET-UNK-94460c07-2
0.271
MIC-UNK-91acba05-1
0.271
MAT-POS-22e8b45a-1
0.271
MAT-POS-865c3497-1
0.271
MAT-POS-865c3497-2
0.271
ROB-UNI-322e8f70-3
0.271
ALP-POS-76eab5ce-2
0.271
ALP-POS-76eab5ce-1
0.271
PET-UNK-1320d94d-25
0.271
PET-UNK-1320d94d-26
0.271
NIR-THE-1e03c142-1
0.271