Molecular Properties | |
SMILES: | NS(=O)(=O)C(=O)NCCC(=O)NCN1CCC(O)CC1 |
MW: | 308.36 |
Fraction sp3: | 0.8 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 141.83 |
cLogP: | -2.095 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
thioester
Thiocarboxylic acids and their derivatives
Filter81_Thiocarbamate
acyclic N-C-N
Long aliphatic chain
reactive_carbonyls
MAK-UNK-1cb0e944-7
1.000
MAK-UNK-1cb0e944-10
0.350
MAK-UNK-1cb0e944-12
0.296
MAK-UNK-1cb0e944-3
0.293
MAK-UNK-5e88aa6a-5
0.293
MAK-UNK-1cb0e944-6
0.291
MAK-UNK-5e88aa6a-8
0.291
MAK-UNK-1cb0e944-11
0.288
MAK-UNK-e4a48a85-17
0.283
MAK-UNK-176ca439-1
0.273
MAK-UNK-e4a48a85-14
0.268
HAR-NEW-e34cb1ae-2
0.267
MAK-UNK-5e88aa6a-6
0.256
MAK-UNK-1cb0e944-1
0.256
MAK-UNK-5e88aa6a-10
0.256
MAK-UNK-1cb0e944-5
0.256
HAR-NEW-e34cb1ae-8
0.256
MAK-UNK-e4a48a85-18
0.255
MAK-UNK-5e88aa6a-12
0.254
MAK-UNK-e4a48a85-12
0.253
DUN-NEW-f8ce3686-11
0.247
SAM-UNK-903735bd-1
0.247
MAK-UNK-1cb0e944-13
0.247
MAK-UNK-5e88aa6a-4
0.242
MAK-UNK-1cb0e944-2
0.242
CES-WAB-18e74d70-2
0.241
TRY-UNI-1fd04853-4
0.238
MAK-UNK-1cb0e944-4
0.238
MAK-UNK-5e88aa6a-7
0.238
MAK-UNK-e4a48a85-13
0.234
MAK-UNK-31051d4e-1
0.233
MAK-UNK-1cb0e944-9
0.233
MAK-UNK-31051d4e-3
0.231
MAK-UNK-31051d4e-2
0.231
PET-SGC-908c18f3-1
0.230
MAK-UNK-748f8b7a-5
0.227
NAU-LAT-42d4957e-3
0.224
SAD-SAT-f25ee457-4
0.223
HAR-NEW-e34cb1ae-6
0.218
PET-SGC-39d74636-1
0.218
SAM-UNK-2684b532-9
0.217
BEN-DND-362d364a-11
0.217
AAR-POS-d2a4d1df-7
0.217
JAN-GHE-1d98ec1c-7
0.214
LON-WEI-b8d98729-4
0.214
SEL-UNI-cd366922-5
0.212
NIY-UNK-62612a68-6
0.211
MAK-UNK-e4a48a85-7
0.211
EDJ-MED-3c65e9ce-4
0.210
MAK-UNK-acefcb18-16
0.209
SAM-UNK-2684b532-8
0.209
MAR-UNI-9d4da90d-5
0.208
DOU-UNK-b5326f8f-18
0.206
WIL-LEE-23e8b574-5
0.205
MAR-TRE-9c797165-48
0.205
SAD-SAT-89668ff1-2
0.205
SAM-UNK-2684b532-10
0.204
KAT-UNK-c8a6cb16-1
0.203
CAM-STU-3ef21e73-1
0.203
SAM-UNK-83e03154-1
0.200
MAK-UNK-acefcb18-25
0.200
MAK-UNK-31051d4e-6
0.200
MAR-UNI-9d4da90d-6
0.200
TRY-UNI-9f475305-1
0.200
SAD-SAT-1b030f84-8
0.200
ASH-UNK-40b46b30-8
0.200
JOR-UNI-2fc98d0b-3
0.198
MAK-UNK-acefcb18-24
0.198
MAK-UNK-e4a48a85-26
0.198
JOK-SYG-ac99ed27-1
0.198
TOB-UNK-c2aba166-1
0.197
MAK-UNK-31051d4e-4
0.196
MIH-UNI-e573136b-7
0.195
AHN-SAT-de2502ba-17
0.195
MAK-UNK-acefcb18-27
0.195
MAK-UNK-e4a48a85-19
0.194
MAR-TRE-6a44bbf2-56
0.194
MAK-UNK-e4a48a85-10
0.194
JOR-UNI-2fc98d0b-13
0.194
MAR-TRE-799db12b-52
0.193
PET-SGC-39d74636-2
0.193
JAN-UNI-2e92c4b1-3
0.193
TAM-UNI-c140e31a-13
0.191
ALP-POS-90c18d1d-1
0.191
JOK-SYG-302da050-2
0.191
BEN-DND-6de5dfa0-3
0.190
NAU-LAT-3f5f3993-5
0.190
BEN-DND-09b88bf4-3
0.190
JOR-UNI-61e7b1d5-5
0.190
MAK-UNK-e4a48a85-9
0.190
BEN-DND-6de5dfa0-23
0.190
MAR-TRE-6a44bbf2-12
0.190
MAK-UNK-f983951f-25
0.190
WIL-LEE-23e8b574-6
0.189
MED-UNK-7e7dab56-3
0.188
AAR-UNI-c25c2f1e-45
0.188
MAK-UNK-5e88aa6a-3
0.188
MAK-UNK-acefcb18-20
0.188
MAK-UNK-5e88aa6a-11
0.188
MAK-UNK-10dfa458-7
0.187