Molecular Properties | |
SMILES: | N#CS(=O)(=O)Nc1cccc(C(=O)Oc2cccc(N3CCCC3=O)c2)c1 |
MW: | 385.07 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 116.57 |
cLogP: | 2.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
cyanate/aminonitrile/thiocyanate
phenol ester
Thiocyanates
Filter67_S_or_O_C_triplebond_N
thio cyanates
sulfonyl cyanide
Ester
Hetero_hetero
Phenylester
LON-WEI-8f408cad-3
MAK-UNK-9159f8ed-7
0.766
MAK-UNK-10dfa458-32
0.626
MAK-UNK-10dfa458-25
0.605
MAK-UNK-9159f8ed-3
0.529
MAK-UNK-9159f8ed-2
0.505
MAK-UNK-9159f8ed-5
0.505
MAK-UNK-1e8f9e3c-6
0.500
MAK-UNK-c8c8f7e2-1
0.494
MAK-UNK-9159f8ed-1
0.474
MAK-UNK-9159f8ed-4
0.469
MAK-UNK-1e8f9e3c-1
0.441
MAK-UNK-9159f8ed-6
0.441
MAK-UNK-10dfa458-22
0.434
MAK-UNK-6435e6c2-4
0.390
MAK-UNK-7a704a63-8
0.386
MAK-UNK-c8c8f7e2-15
0.386
MAK-UNK-c8c8f7e2-16
0.372
MAK-UNK-1e8f9e3c-3
0.371
AAR-POS-0daf6b7e-11
0.368
MAK-UNK-7a704a63-10
0.368
MAK-UNK-7a704a63-9
0.368
MAK-UNK-10dfa458-3
0.368
LON-WEI-8f408cad-1
0.368
MAK-UNK-c8c8f7e2-17
0.360
MAK-UNK-1e8f9e3c-2
0.356
MAK-UNK-c8c8f7e2-18
0.356
MAR-TRE-2fd8122f-39
0.347
MAK-UNK-c8c8f7e2-20
0.337
MAK-UNK-7a704a63-11
0.333
MAK-UNK-c8c8f7e2-2
0.333
MAK-UNK-c8c8f7e2-3
0.333
MAK-UNK-c8c8f7e2-4
0.333
MAK-UNK-1e8f9e3c-4
0.330
MAK-UNK-1e8f9e3c-5
0.330
MAK-UNK-c8c8f7e2-5
0.330
MAR-TRE-799db12b-49
0.327
MAR-TRE-799db12b-69
0.320
MAK-UNK-c8c8f7e2-6
0.319
MAK-UNK-6435e6c2-7
0.317
AAR-POS-0daf6b7e-31
0.317
MAK-UNK-c8c8f7e2-8
0.315
MAK-UNK-c8c8f7e2-34
0.315
MAK-UNK-c8c8f7e2-33
0.315
MAK-UNK-7a704a63-23
0.311
MAK-UNK-7a704a63-24
0.308
MAK-UNK-c8c8f7e2-31
0.308
AAR-UNI-c25c2f1e-61
0.302
MAK-UNK-902cc841-3
0.302
MAK-UNK-c8c8f7e2-32
0.301
MAK-UNK-c8c8f7e2-12
0.300
MAK-UNK-7a704a63-7
0.300
MAK-UNK-c8c8f7e2-7
0.298
MAK-UNK-902cc841-4
0.294
MAK-UNK-7a704a63-20
0.292
AAR-UNI-c25c2f1e-103
0.291
MAK-UNK-c8c8f7e2-41
0.289
MAK-UNK-7a704a63-18
0.289
MAK-UNK-7a704a63-6
0.289
MAK-UNK-c8c8f7e2-11
0.289
JON-UIO-d041ac75-4
0.284
JON-UIO-d041ac75-5
0.284
MAK-UNK-902cc841-12
0.283
MAK-UNK-7a704a63-17
0.278
MAK-UNK-c8c8f7e2-40
0.278
BEN-VAN-5787f7d3-10
0.278
MAK-UNK-c8c8f7e2-30
0.278
MAK-UNK-902cc841-11
0.278
MAR-TRE-9d18ae8c-65
0.276
BEN-VAN-5787f7d3-12
0.274
BEN-VAN-5787f7d3-11
0.273
MAK-UNK-902cc841-13
0.270
COM-UCB-1ef4e90e-23
0.267
BAR-COM-0f94fc3d-53
0.264
MAK-UNK-902cc841-14
0.264
DAV-CRI-8c8dd668-1
0.263
MAR-TRE-fd17a9b8-52
0.263
MAR-TRE-67513f76-4
0.260
BAR-COM-4e090d3a-60
0.255
BEN-VAN-5787f7d3-1
0.252
DOU-UNK-b5326f8f-9
0.252
MAR-TRE-a9136c7b-57
0.250
ALP-POS-95f71980-10
0.248
MAR-TRE-7f7bb9f0-54
0.248
MAK-UNK-7a704a63-4
0.247
MAK-UNK-c8c8f7e2-9
0.247
JON-UIO-56032f80-2
0.242
MAK-UNK-7a704a63-21
0.242
MAK-UNK-c8c8f7e2-37
0.242
MAK-UNK-c8c8f7e2-38
0.242
MAK-UNK-7a704a63-22
0.240
DOU-UNK-b5326f8f-7
0.239
JON-UIO-56032f80-4
0.237
MAK-UNK-7a704a63-19
0.237
MAK-UNK-c8c8f7e2-36
0.237
MAK-UNK-7a704a63-5
0.237
JON-UIO-56032f80-1
0.237
MAK-UNK-c8c8f7e2-10
0.237
MAK-UNK-c8c8f7e2-14
0.237
MAK-UNK-7a704a63-2
0.237
KEI-TRE-d5e2018a-94
0.234