Molecular Properties | |
SMILES: | O=C(CN1CCNCC1)Nc1ccccc1 |
MW: | 219.288 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 44.37 |
cLogP: | 0.5303 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-27102 |
Enamine SCR: | Z111870096 |
Enamine REAL: | Z57821467 |
Enamine Extended REAL: | s_269982____7368754____7393588 |
Mcule: | MCULE-2560001093 |
MolPort: | MolPort-003-003-623 |
SAD-SAT-6b5a89f0-8
0.468
MAK-UNK-748f8b7a-5
0.410
MAR-TRE-6a44bbf2-47
0.406
MAR-TRE-6a44bbf2-12
0.397
GIA-UNK-3f36037a-2
0.393
GIA-UNK-3f36037a-4
0.390
GIA-UNK-3f36037a-7
0.382
MAR-TRE-14ce9fd6-61
0.379
DRA-CSI-47e38074-1
0.377
MAK-UNK-be5ffcbc-1
0.373
RED-SAT-26a928c9-1
0.368
ANU-UNK-2781581f-1
0.368
MAK-UNK-748f8b7a-1
0.367
AHN-SAT-de2502ba-7
0.361
MAR-TRE-4f781e27-49
0.359
MAR-TRE-6a44bbf2-3
0.357
MAR-TRE-67513f76-73
0.348
JAG-SYN-9c2cd0bd-9
0.344
JAG-SYN-9c2cd0bd-14
0.344
AAR-POS-0daf6b7e-44
0.339
LON-WEI-120e5cf5-15
0.338
MAR-TRE-6a44bbf2-86
0.338
LON-WEI-b8d98729-4
0.333
MAR-TRE-7f7bb9f0-26
0.333
JAN-GHE-1d98ec1c-7
0.333
CUN-WAB-25b584ee-2
0.333
JAG-SYN-9c2cd0bd-8
0.328
TAT-ENA-80bfd3e5-23
0.328
MAR-TRE-6a44bbf2-27
0.324
DAR-DIA-23aa0b97-20
0.324
JAG-SYN-9c2cd0bd-4
0.323
SAD-SAT-2fd372d1-8
0.323
MAK-UNK-b1917cc8-3
0.322
CHR-SOS-7098f804-9
0.321
JAG-SYN-9c2cd0bd-3
0.318
AAR-POS-0daf6b7e-32
0.317
MAR-TRE-d0525fbf-64
0.316
JAG-SYN-9c2cd0bd-6
0.314
MAR-TRE-3e4e6814-16
0.313
BEN-DND-031a96cc-5
0.310
BEN-DND-031a96cc-4
0.310
MAR-TRE-4b834d9a-81
0.310
MAR-TRE-b77b7921-58
0.310
JOH-IMS-62aeb97d-4
0.308
MAR-TRE-1c920f6f-42
0.306
DAR-DIA-03336633-15
0.304
MAX-MCD-16e3709a-1
0.304
AAR-UNI-c25c2f1e-33
0.301
MAR-TRE-04c86cea-34
0.301
BEN-DND-6de5dfa0-18
0.300
TAT-ENA-80bfd3e5-30
0.300
EDJ-MED-3c65e9ce-3
0.299
JOR-UNI-2fc98d0b-4
0.298
AAR-UNI-c25c2f1e-71
0.297
VLA-UCB-34f3ed0c-7
0.297
LIL-FNM-e1865f24-1
0.296
MAR-TRE-3e4e6814-22
0.294
CLI-UNI-032f7715-2
0.293
AAR-UNI-c25c2f1e-40
0.292
MAK-UNK-5d2caa6f-20
0.292
BEN-DND-6de5dfa0-2
0.291
BEN-DND-09b88bf4-1
0.291
JOR-UNI-2fc98d0b-10
0.291
NAU-LAT-64f4b287-8
0.290
JAG-SYN-9c2cd0bd-7
0.290
MAR-TRE-b77b7921-82
0.289
JOH-SUS-bab12148-1
0.288
JOR-UNI-61e7b1d5-12
0.287
BEN-DND-93268d01-10
0.286
AAR-UNI-c25c2f1e-52
0.284
BEN-DND-09b88bf4-4
0.284
BEN-DND-6de5dfa0-4
0.284
AAR-UNI-c25c2f1e-45
0.284
AAR-UNI-c25c2f1e-79
0.282
SAN-PRS-52b81272-2
0.281
JOR-UNI-61e7b1d5-26
0.281
MAK-UNK-1ac43cfa-2
0.280
DRE-WAB-9b73098a-1
0.279
MAR-TRE-dab8f6ea-3
0.279
JOH-UNI-522b0723-7
0.279
MAR-TRE-d3c2bf0e-21
0.279
AAR-POS-d2a4d1df-11
0.279
AAR-UNI-c25c2f1e-39
0.278
WIL-UNI-5578df48-7
0.278
MAR-TRE-2fd8122f-30
0.277
TAM-UNI-c140e31a-13
0.277
CHR-SOS-7098f804-7
0.277
BEN-DND-6de5dfa0-11
0.276
NAU-LAT-a5c7d7cb-1
0.276
ALP-POS-6747fa38-1
0.276
CAS-DEP-e179b1f5-2
0.276
MED-COV-dea4df70-1
0.276
NIR-THE-d08c3b48-1
0.276
VLA-UCB-05e51b3f-1
0.276
BEN-DND-6de5dfa0-23
0.275
PET-SGC-0f1d26ed-2
0.274
BAR-COM-4e090d3a-11
0.273
MAK-UNK-748f8b7a-6
0.273
SIM-SYN-a98e6a07-1
0.273
VLA-UCB-34f3ed0c-13
0.272