Molecular Properties | |
SMILES: | O=C(Nc1cncc(CO)c1)N[C@@H]1CC[C@H]2O[C@@H]2C1 |
MW: | 263.297 |
Fraction sp3: | 0.54 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 86.78 |
cLogP: | 1.0153 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Three-membered heterocycle
Three-membered heterocycles
Filter40_epoxide_aziridine
epoxides
Three_Membered_Heterocycle
AAR-POS-d2a4d1df-8
FRA-FAC-9ed5a63a-5
0.672
FRA-FAC-9ed5a63a-4
0.559
FRA-FAC-9ed5a63a-7
0.467
JAN-LUN-3e0f9c09-3
0.379
FRA-FAC-9ed5a63a-3
0.308
MAR-TRE-799db12b-51
0.300
ALE-HEI-f28a35b5-8
0.299
MAK-UNK-009ebe36-10
0.293
IAN-BAS-daf5a467-1
0.276
MAK-UNK-30aad1f1-3
0.275
JAN-LUN-3e0f9c09-4
0.273
JAN-LUN-8953ce76-7
0.273
JAN-LUN-8953ce76-1
0.273
JAN-LUN-04aedcc0-7
0.272
NAU-LAT-b7d8c353-1
0.271
JAN-LUN-3e0f9c09-1
0.270
JAN-LUN-8953ce76-4
0.270
JAN-LUN-8953ce76-6
0.270
JAN-LUN-3e0f9c09-2
0.270
SAD-SAT-135344c3-4
0.269
MAK-UNK-009ebe36-3
0.269
SAD-SAT-135344c3-5
0.266
SAD-SAT-689b7d5a-9
0.265
MAR-TRE-9c797165-80
0.265
SID-ELM-2583a2cd-5
0.263
IAN-BAS-e945b602-1
0.261
SID-ELM-2583a2cd-6
0.260
ABB-MCD-f549d731-1
0.257
DAR-DIA-23aa0b97-9
0.253
SID-ELM-2583a2cd-19
0.253
MAR-TRE-2fd8122f-72
0.253
DAN-PUR-19f24f0c-1
0.250
BAR-COM-21d20d65-4
0.250
MAK-UNK-009ebe36-6
0.245
MAK-UNK-f2409524-7
0.245
SID-ELM-2583a2cd-16
0.244
JAN-LUN-04aedcc0-1
0.241
MAR-TRE-7f7bb9f0-68
0.239
TRY-UNI-714a760b-7
0.238
SID-ELM-2583a2cd-7
0.237
JAN-LUN-04aedcc0-2
0.235
JAN-LUN-04aedcc0-6
0.233
MIC-SGC-657978c3-1
0.233
NAU-LAT-3f5f3993-2
0.233
CHA-KIN-ceadbd93-3
0.233
SID-ELM-2583a2cd-15
0.233
DAR-DIA-23aa0b97-6
0.233
BEN-BAS-26f6b627-1
0.232
DAR-DIA-23aa0b97-7
0.230
BAR-COM-21d20d65-2
0.229
DAR-DIA-23aa0b97-13
0.229
ALE-HEI-f28a35b5-7
0.229
CHR-SOS-363cfb78-1
0.229
TRY-UNI-714a760b-11
0.229
MAK-UNK-f2409524-3
0.228
WIL-UNI-5578df48-27
0.227
WIL-UNI-5578df48-25
0.227
MAR-TRE-9c797165-46
0.226
MAR-TRE-7f7bb9f0-14
0.226
ALP-UNI-fe744232-13
0.226
MAK-UNK-009ebe36-9
0.225
MAK-UNK-f2409524-6
0.225
KEN-ILL-f8fa3277-2
0.225
DAR-DIA-23aa0b97-15
0.225
AAR-UNI-c25c2f1e-35
0.225
SAD-SAT-135344c3-7
0.224
MAK-UNK-b2c98f02-4
0.223
WIL-UNI-5578df48-30
0.222
WES-WAB-2b40d25a-1
0.222
SAD-SAT-135344c3-2
0.221
DAR-DIA-842b4336-6
0.221
BEN-DND-6de5dfa0-18
0.221
SIM-DEM-2843056b-4
0.220
MAR-TRE-67513f76-3
0.220
MAK-UNK-748f8b7a-7
0.220
MAK-UNK-748f8b7a-2
0.220
WES-WAB-6f418dc2-1
0.219
DAR-DIA-23aa0b97-8
0.218
PET-UNK-ac320b15-3
0.218
PET-UNK-ac320b15-4
0.218
WIL-UNI-5578df48-26
0.217
RAL-MED-2de63afb-7
0.217
CAL-WAB-b78df3bb-1
0.217
NIM-UNI-43fe0159-4
0.217
MAK-UNK-c8c8f7e2-11
0.217
MAK-UNK-7a704a63-6
0.217
BEN-DND-61647d40-3
0.216
WIL-UNI-5578df48-11
0.216
LON-WEI-120e5cf5-11
0.216
AAR-UNI-c25c2f1e-24
0.216
MAK-UNK-748f8b7a-15
0.215
MAR-TRE-7f7bb9f0-11
0.215
MAR-TRE-66ac689e-31
0.215
MAR-TRE-a9136c7b-89
0.215
ALP-POS-82da25a3-2
0.215
JAN-LUN-04aedcc0-5
0.215
BEN-DND-61647d40-2
0.214
WIL-UNI-1faa9b10-36
0.214
DAR-DIA-842b4336-11
0.214
MED-UNK-e6e8ef8a-7
0.214