Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)N[C@@H]1CC[C@H]2O[C@@H]2C1 |
MW: | 233.271 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 66.55 |
cLogP: | 1.523 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Three-membered heterocycle
Three-membered heterocycles
Filter40_epoxide_aziridine
epoxides
Three_Membered_Heterocycle
AAR-POS-d2a4d1df-8
FRA-FAC-9ed5a63a-3
0.607
ALE-HEI-f28a35b5-8
0.600
FRA-FAC-9ed5a63a-5
0.585
FRA-FAC-9ed5a63a-6
0.559
SAD-SAT-689b7d5a-9
0.530
MAK-UNK-009ebe36-3
0.500
SAD-SAT-135344c3-4
0.500
MAK-UNK-009ebe36-10
0.494
SAD-SAT-135344c3-5
0.494
MAR-TRE-9c797165-80
0.443
MAK-UNK-009ebe36-6
0.430
MAR-TRE-2fd8122f-72
0.429
DAR-DIA-842b4336-2
0.424
MAK-UNK-009ebe36-9
0.424
DAR-DIA-842b4336-6
0.423
MED-UNK-e6e8ef8a-7
0.420
AAR-POS-d2a4d1df-11
0.419
ALE-HEI-f28a35b5-4
0.406
JOH-IMS-62aeb97d-3
0.406
SAD-SAT-cefd50cc-1
0.403
MED-UNK-e6e8ef8a-1
0.400
ALE-HEI-f28a35b5-15
0.400
MAK-UNK-d1e89583-3
0.397
FRA-FAC-9ed5a63a-7
0.395
DAR-DIA-842b4336-1
0.394
WAR-XCH-eb7b662f-3
0.388
JOH-IMS-62aeb97d-1
0.386
MAR-TRE-67513f76-81
0.383
SAD-SAT-135344c3-2
0.383
MAR-TRE-2fd8122f-27
0.382
MAK-UNK-d1e89583-1
0.382
DAR-DIA-23aa0b97-15
0.382
DAR-DIA-842b4336-11
0.380
CHR-SOS-363cfb78-1
0.380
DAR-DIA-842b4336-7
0.380
DAR-DIA-842b4336-8
0.380
MAK-UNK-ca11b4f7-2
0.377
MAK-UNK-ca11b4f7-3
0.377
DAR-DIA-842b4336-3
0.377
DAR-DIA-23aa0b97-14
0.377
JOR-UNI-2fc98d0b-7
0.377
WAR-XCH-eb7b662f-6
0.377
ANN-UNI-26382800-3
0.377
JOH-UNK-14e6adc5-2
0.377
JOH-IMS-62aeb97d-4
0.377
DAR-DIA-842b4336-4
0.377
ALE-HEI-f28a35b5-16
0.377
JAN-GHE-83b26c96-19
0.377
WAR-XCH-eb7b662f-7
0.377
ANT-DIA-3c79be55-5
0.377
WAR-XCH-eb7b662f-5
0.375
MAR-TRE-7f7bb9f0-68
0.375
MED-UNK-e6e8ef8a-2
0.375
FRA-FAC-9ed5a63a-2
0.375
SAD-SAT-2fd372d1-7
0.375
MED-UNK-e6e8ef8a-3
0.375
LON-WEI-120e5cf5-11
0.373
MAK-UNK-d1e89583-4
0.371
MAK-UNK-d1e89583-7
0.371
JOH-IMS-62aeb97d-5
0.371
MAK-UNK-ca11b4f7-1
0.371
ALE-MCD-4ac17b19-1
0.370
DAR-DIA-842b4336-9
0.370
TRY-UNI-bbd40bb4-3
0.369
MAK-UNK-d1e89583-2
0.366
ALE-HEI-f28a35b5-9
0.366
AAR-POS-d2a4d1df-13
0.366
FRA-FAC-9ed5a63a-1
0.366
MAR-TRE-d0525fbf-90
0.364
WIL-UNI-5578df48-17
0.362
WIL-UNI-5578df48-20
0.362
ASH-UNK-40b46b30-13
0.362
WIL-UNI-5578df48-23
0.361
WAR-XCH-eb7b662f-4
0.361
DAR-DIA-842b4336-5
0.361
WIL-UNI-5578df48-21
0.361
MED-UNK-e6e8ef8a-5
0.361
SAD-SAT-689b7d5a-3
0.360
NAU-LAT-64f4b287-10
0.359
WIL-UNI-5578df48-2
0.358
ALE-HEI-f28a35b5-14
0.358
TRY-UNI-bbd40bb4-4
0.358
BAR-COM-21d20d65-2
0.357
MAR-TRE-9c797165-24
0.357
SAD-SAT-135344c3-3
0.357
WAR-XCH-eb7b662f-1
0.356
ANN-UNI-26382800-4
0.356
DAR-DIA-23aa0b97-5
0.356
JOR-UNI-61e7b1d5-2
0.356
MAR-TRE-9c797165-46
0.356
MAK-UNK-d1e89583-9
0.355
WIL-UNI-5578df48-15
0.355
BAR-COM-21d20d65-4
0.354
WIL-UNI-5578df48-25
0.353
MAR-TRE-2fd8122f-29
0.353
WIL-UNI-5578df48-26
0.350
MAK-UNK-5d2caa6f-1
0.350
SAD-SAT-689b7d5a-6
0.350
BAR-COM-5694a99d-1
0.349
ASH-UNK-40b46b30-15
0.347