Molecular Properties | |
SMILES: | Fc1cc2c(cc1Cl)[C@H](C(=S)Nc1cncc3ccccc13)CCO2 |
MW: | 372.05 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 34.15 |
cLogP: | 5.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Thiocarbonyl group
Heteroatom-bonded thiocarbonyls
Thiocarbonyls
thioamide
Thiocarbonyl_group
BEN-DND-d1eb1f41-11
0.759
ALP-POS-d91e0300-1
0.735
RAL-THA-05e671eb-10
0.735
ALP-POS-fe871b40-9
0.735
MAT-POS-a13804f0-2
0.735
MAT-POS-a13804f0-3
0.735
BEN-DND-d1eb1f41-13
0.705
ALP-UNI-3735e77e-3
0.625
RAL-THA-05e671eb-11
0.625
MAT-POS-ec6d90b7-7
0.582
MAT-POS-96f51285-5
0.582
EDJ-MED-611d11e7-6
0.582
RAL-THA-05e671eb-2
0.573
RYA-UNI-6d7114fd-1
0.573
ALP-POS-869ac754-1
0.573
RAL-THA-05e671eb-9
0.548
MAT-POS-a5ef2d74-1
0.543
PET-UNK-f4e47ebd-5
0.543
MAT-POS-ec6d90b7-3
0.543
EDJ-MED-611d11e7-12
0.543
PET-UNK-03fd2068-2
0.537
EDJ-MED-611d11e7-9
0.536
MAT-POS-96f51285-4
0.536
EDJ-MED-611d11e7-3
0.536
MAT-POS-96f51285-3
0.536
RAL-THA-05e671eb-3
0.533
PET-UNK-f4e47ebd-6
0.532
BEN-DND-d1eb1f41-17
0.526
RAL-THA-05e671eb-28
0.521
MAT-POS-f7918075-1
0.516
MAT-POS-b3e365b9-2
0.516
RAL-THA-05e671eb-13
0.516
MAT-POS-b3e365b9-1
0.516
VLA-UCB-1dbca3b4-15
0.516
RAL-THA-05e671eb-32
0.505
RAL-THA-05e671eb-33
0.500
RAL-THA-05e671eb-4
0.500
ADA-UCB-dc2b944c-7
0.500
RAL-THA-05e671eb-14
0.495
RAL-THA-05e671eb-27
0.495
EDJ-MED-e4b030d8-10
0.495
PET-UNK-f4e47ebd-7
0.490
EDJ-MED-e4b030d8-8
0.490
RAL-THA-05e671eb-29
0.490
ALP-POS-fe871b40-10
0.485
ALP-UNI-ba800595-2
0.485
RAL-THA-05e671eb-6
0.480
RAL-THA-05e671eb-12
0.479
RAL-THA-05e671eb-26
0.479
RAL-THA-05e671eb-15
0.479
PET-UNK-f4e47ebd-8
0.476
RAL-THA-05e671eb-30
0.475
RAL-THA-05e671eb-31
0.470
DAR-DIA-6a508060-8
0.469
ALF-EVA-5b152d2f-1
0.469
RAL-THA-05e671eb-17
0.469
RAL-THA-05e671eb-5
0.464
MAT-POS-11b63608-1
0.464
ADA-UCB-dc2b944c-5
0.464
RAL-THA-05e671eb-1
0.462
MAT-POS-993cdc78-1
0.461
ALP-POS-fe871b40-11
0.461
MAT-POS-993cdc78-2
0.461
PET-UNK-1b92fa34-3
0.460
RAL-THA-05e671eb-36
0.459
RAL-THA-05e671eb-35
0.459
BEN-DND-f2e727cd-1
0.458
EDJ-MED-12c115cc-1
0.457
RAL-THA-05e671eb-21
0.457
FRA-DIA-0fa076fe-2
0.457
MAT-POS-bbbbc21a-2
0.457
MAT-POS-f7918075-2
0.457
EDJ-MED-12c115cc-2
0.457
RAL-THA-05e671eb-22
0.457
DAR-DIA-6a508060-3
0.455
RAL-THA-05e671eb-7
0.455
ALF-EVA-5b152d2f-4
0.455
EDJ-MED-e4b030d8-9
0.454
RAL-THA-05e671eb-34
0.454
ALP-POS-869ac754-2
0.453
RAL-THA-05e671eb-8
0.450
ALP-POS-fe871b40-15
0.450
ALP-UNI-3735e77e-2
0.449
RAL-THA-05e671eb-16
0.449
ALP-POS-c86619f0-1
0.449
ALF-EVA-5b152d2f-6
0.446
VLA-UNK-a5257d84-1
0.446
ALF-EVA-ced740bd-4
0.442
PET-UNK-c0891748-8
0.439
PET-UNK-c0891748-2
0.439
RAL-THA-05e671eb-25
0.439
EDJ-MED-12f7f543-1
0.439
ROB-UNI-6ee2df8c-1
0.439
ALP-POS-fe871b40-5
0.439
PET-UNK-9b23ef84-3
0.437
ALP-UNI-4b8a177c-1
0.434
MAT-POS-2e8b2191-3
0.430
ALP-POS-ce760d3f-1
0.430
EDJ-MED-cf877e1d-1
0.430
EDJ-MED-015fb6b4-3
0.430