Molecular Properties | |
SMILES: | O=C(NCC1CCCCC1)c1cccnc1 |
MW: | 218.3 |
Fraction sp3: | 0.54 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 2.3917 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z32004319 |
Enamine REAL: | Z32004319 |
Enamine Extended REAL: | s_22____57805____58868 |
Mcule: | MCULE-2738187497 |
Mcule Ultimate: | VFWYAQNRJZKZEN-UHFFFAOYSA-N |
MolPort: | MolPort-002-100-736 |
ALE-HEI-f28a35b5-9
NIM-UNI-bb9030bf-10
0.458
AAR-POS-d2a4d1df-13
0.422
FRA-FAC-9ed5a63a-1
0.422
ALE-HEI-f28a35b5-9
0.422
MAR-TRE-92684b97-83
0.420
NIM-UNI-bb9030bf-11
0.411
MAK-UNK-2c1752f0-1
0.403
MIC-SGC-657978c3-6
0.380
STE-KUL-2e0d2e88-3
0.375
MIC-SGC-657978c3-4
0.373
MAK-UNK-ec98eaf6-20
0.359
MAK-UNK-10dfa458-35
0.356
MAK-UNK-10dfa458-36
0.351
MAR-TRE-9d18ae8c-57
0.351
MAR-TRE-f6f5f473-53
0.345
ALE-HEI-f28a35b5-8
0.343
JOH-IMS-62aeb97d-1
0.338
MAR-TRE-b77b7921-16
0.337
MAR-TRE-b77b7921-59
0.337
MED-UNK-e6e8ef8a-7
0.333
MIC-SGC-657978c3-2
0.333
MED-UNK-e6e8ef8a-1
0.333
MAR-TRE-4f781e27-2
0.329
MAR-TRE-c317dd82-6
0.329
ALE-HEI-f28a35b5-6
0.329
EDG-MED-0da5ad92-4
0.329
TRY-UNI-714a760b-10
0.329
MIC-SGC-657978c3-5
0.325
MAR-TRE-b77b7921-22
0.322
CHA-KIN-ceadbd93-2
0.319
MIC-SGC-657978c3-8
0.319
MAR-TRE-8a25d817-48
0.319
JOR-UNI-2fc98d0b-12
0.318
MAR-TRE-7f7bb9f0-33
0.316
MAR-TRE-b77b7921-97
0.316
MAR-TRE-e86a56b5-35
0.316
MED-UNK-e6e8ef8a-5
0.314
MAR-TRE-b77b7921-53
0.312
KEI-TRE-d5e2018a-77
0.312
MIC-SGC-657978c3-3
0.312
DAR-DIA-bd041b9b-26
0.311
JOR-UNI-61e7b1d5-20
0.310
MAK-UNK-b2c98f02-5
0.310
MAR-TRE-be9ff7d2-14
0.308
JOR-UNI-61e7b1d5-18
0.307
SID-ELM-8b394441-2
0.306
SID-ELM-8b394441-4
0.306
MAR-TRE-be9ff7d2-95
0.305
JOR-UNI-61e7b1d5-21
0.304
MAR-TRE-a9136c7b-6
0.304
SID-ELM-2583a2cd-4
0.304
MAR-TRE-e82e6c98-2
0.304
ASH-UNK-40b46b30-13
0.304
MED-UNK-e6e8ef8a-4
0.301
SID-ELM-2583a2cd-21
0.300
MAR-TRE-74c6519b-91
0.299
BEN-DND-031a96cc-8
0.299
MAR-TRE-3e4e6814-62
0.295
MAR-TRE-92684b97-81
0.295
JOR-UNI-61e7b1d5-19
0.295
MAR-TRE-9d18ae8c-16
0.294
NAM-UNK-f7c77a48-2
0.292
FRA-FAC-9ed5a63a-2
0.292
MED-UNK-e6e8ef8a-3
0.292
MED-UNK-e6e8ef8a-2
0.292
MAR-TRE-b77b7921-74
0.291
CHR-SOS-70e4c98a-1
0.291
CHR-SOS-70e4c98a-8
0.289
ZAC-WAB-d55a3c2e-2
0.289
ZAC-WAB-3baddbb3-1
0.289
CHA-KIN-ceadbd93-6
0.289
NIM-UNI-310206f0-46
0.289
MAR-TRE-66ac689e-67
0.287
MAR-TRE-9d18ae8c-34
0.286
MAR-TRE-8190bb11-2
0.284
WAR-XCH-bdd24732-13
0.284
MAR-TRE-7f7bb9f0-68
0.284
MAR-TRE-9c797165-66
0.284
MAR-TRE-3e4e6814-59
0.284
MAR-TRE-e82e6c98-10
0.284
DAN-PUR-3907f623-3
0.284
MAR-TRE-67513f76-81
0.283
MED-UNK-cd1acb4a-1
0.283
MAR-TRE-f6f5f473-36
0.282
CHR-SOS-70e4c98a-3
0.282
NAU-LAT-64f4b287-10
0.282
DAR-DIA-03336633-5
0.281
WAR-XCH-79d12f6e-5
0.280
MAR-TRE-a9136c7b-47
0.280
MAR-TRE-2fd8122f-44
0.280
CHR-SOS-70e4c98a-6
0.280
MAR-TRE-4f781e27-29
0.280
MAR-TRE-04c86cea-8
0.280
NAU-LAT-64f4b287-9
0.279
MAK-UNK-ca11b4f7-3
0.279
MAR-TRE-3e4e6814-67
0.278
DAN-MCD-93e7aadc-1
0.278
FRA-FAC-9ed5a63a-3
0.278
MED-UNK-e6e8ef8a-6
0.278
MAR-TRE-f6f5f473-58
0.278