Molecular Properties | |
SMILES: | [O-][S+](Cc1cncc2ccccc12)C(CCC1CCCCC1)c1cccc(Cl)c1 |
MW: | 425.16 |
Fraction sp3: | 0.4 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 35.95 |
cLogP: | 7.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
charged oxygen or sulfur atoms
Cations
Filter22_sulfonium_salt
quaternary
Tri_Pentavalent_S
MIC-UNK-c66144cb-5
0.617
MIC-UNK-c66144cb-4
0.611
MAT-POS-173a45da-1
0.485
ALP-POS-3b848b35-4
0.467
MIC-UNK-c66144cb-3
0.467
DAR-DIA-6a49afbe-4
0.385
EDJ-MED-c314995a-1
0.385
VLA-UCB-05e51b3f-14
0.385
DAR-DIA-6a49afbe-1
0.381
MIC-UNK-5a93dd5f-2
0.376
ALP-POS-64a710fa-1
0.373
MIC-UNK-5b1ead09-5
0.370
MIC-UNK-5a93dd5f-1
0.364
ALP-POS-75715966-2
0.364
MIC-UNK-bcd487e9-2
0.364
MIC-UNK-5b1ead09-2
0.358
MIC-UNK-cdc2493e-1
0.355
ALP-POS-3fc1724e-8
0.354
MIC-UNK-d36ab305-6
0.352
MIC-UNK-d36ab305-3
0.351
NAU-LAT-a5c7d7cb-4
0.351
MIC-UNK-5b1ead09-1
0.351
PET-UNK-8922bd3c-1
0.350
DAR-DIA-53551c05-12
0.349
ERI-UCB-d6de1f3c-5
0.347
VLA-UCB-34f3ed0c-6
0.342
ALP-POS-c3a96089-4
0.342
MAT-POS-6c284e65-2
0.342
NAU-LAT-a5c7d7cb-8
0.340
MIC-UNK-6ab519a7-1
0.339
MIC-UNK-5a93dd5f-10
0.339
NIR-THE-590dedc7-1
0.339
NAU-LAT-a5c7d7cb-2
0.339
MIC-UNK-5a93dd5f-3
0.339
MAK-UNK-ffc90da7-4
0.336
MAK-UNK-c749d764-22
0.336
ALP-POS-b3306dea-1
0.333
MIC-UNK-bcd487e9-3
0.333
VLA-UCB-1dbca3b4-12
0.331
DAR-DIA-6a49afbe-5
0.331
DAR-DIA-6a49afbe-8
0.330
ALP-POS-c3a96089-3
0.328
MAT-POS-6c284e65-1
0.328
MIC-UNK-5a93dd5f-4
0.328
EDJ-MED-cf4b0d25-4
0.327
EDJ-MED-cf4b0d25-1
0.325
PET-UNK-a17c93d1-1
0.325
ADA-UCB-dc2b944c-3
0.325
ADA-UCB-dc2b944c-17
0.325
DAR-DIA-6a49afbe-10
0.325
MIC-UNK-5a93dd5f-12
0.322
MIC-UNK-5a93dd5f-11
0.322
DAR-DIA-6a49afbe-3
0.322
DAR-DIA-6a508060-1
0.321
MIC-UNK-5a93dd5f-5
0.319
DAR-DIA-6a49afbe-7
0.317
PET-UNK-1320d94d-7
0.317
PET-UNK-1320d94d-8
0.317
ADA-UCB-6c2cb422-1
0.317
MIC-UNK-5a93dd5f-7
0.317
MIC-UNK-5a93dd5f-6
0.316
MIC-UNK-5a93dd5f-9
0.316
MIC-UNK-cdc2493e-5
0.316
ADA-UCB-dc2b944c-2
0.314
EDJ-MED-cf4b0d25-3
0.314
EDJ-MED-ee07cf00-4
0.314
MIC-UNK-5a93dd5f-8
0.313
JOH-UNI-a38a7bdd-6
0.313
MAT-POS-d8472c4f-2
0.312
VLA-UNK-9a7dc93f-7
0.311
PET-UNK-12d8d43f-1
0.311
MIC-UNK-cdc2493e-18
0.310
DAR-DIA-076fb6ea-3
0.310
MIC-UNK-c66144cb-1
0.310
EDJ-MED-cf4b0d25-2
0.310
JOH-UNI-ee5ed7c8-6
0.309
JOH-UNI-3fc3434e-6
0.309
DAR-DIA-6a49afbe-2
0.308
DAR-DIA-5d6f1b43-21
0.308
MIC-UNK-cdc2493e-17
0.307
DAR-DIA-6a49afbe-11
0.307
MAT-POS-bb423b95-7
0.305
VLA-UCB-05e51b3f-13
0.305
DAR-DIA-6a508060-9
0.305
VLA-UCB-50c39ae8-10
0.305
MIC-UNK-cdc2493e-4
0.304
DAR-DIA-6a49afbe-9
0.304
JOH-UNI-ee5ed7c8-7
0.304
JOH-UNI-3fc3434e-7
0.304
EDJ-MED-cf4b0d25-5
0.303
MIC-UNK-02d7a284-3
0.303
DAR-DIA-076fb6ea-9
0.303
JOH-UNI-50ce7ec3-2
0.303
MIC-UNK-c66144cb-2
0.302
PET-UNK-1320d94d-5
0.302
PET-UNK-1320d94d-6
0.302
MIC-UNK-c5a20098-3
0.301
JOH-UNI-ea1df7a8-1
0.301
JOH-UNI-a38a7bdd-1
0.300
EDJ-MED-ee07cf00-15
0.299