Molecular Properties | |
SMILES: | CN1CCCC1c1cccnc1 |
MW: | 162.236 |
Fraction sp3: | 0.5 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 16.13 |
cLogP: | 1.8483 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2733691523 |
Mcule Ultimate: | SNICXCGAKADSCV-UHFFFAOYSA-N |
MolPort: | MolPort-003-849-384 |
AAR-POS-d2a4d1df-1
DAR-DIA-fc970077-4
0.344
DAR-DIA-fc970077-2
0.333
JAN-GHE-83b26c96-18
0.323
DAR-DIA-fc970077-7
0.318
MAR-TRE-a9136c7b-47
0.315
JUL-TUD-06b2044f-154
0.314
MAR-TRE-a9136c7b-86
0.286
MAR-TRE-c8530538-20
0.286
MAK-UNK-2c1752f0-4
0.286
NAU-LAT-64f4b287-10
0.282
MAK-UNK-2c1752f0-3
0.279
BEN-DND-031a96cc-3
0.276
DAR-DIA-842b4336-2
0.274
DAR-DIA-fc970077-6
0.274
MAT-POS-ea426761-26
0.273
MIH-UNI-e573136b-2
0.271
ALE-HEI-f28a35b5-16
0.270
MAR-TRE-74c6519b-51
0.267
MAK-UNK-f0bfc2e0-2
0.267
SAN-PRS-52b81272-1
0.266
MIC-UNK-df342a3f-1
0.265
MAR-TRE-2fd8122f-30
0.263
JOH-IMS-62aeb97d-3
0.262
DAR-DIA-fc970077-8
0.261
MAR-TRE-dab8f6ea-28
0.259
UNK-UNK-2ede4078-35
0.259
MED-UNK-e6e8ef8a-1
0.258
DAR-DIA-842b4336-11
0.258
LON-WEI-120e5cf5-11
0.257
JAG-UCB-cedd89ab-4
0.256
MAK-UNK-ca11b4f7-4
0.255
KEI-UNI-85a52787-4
0.255
MAR-TRE-2fd8122f-27
0.254
DAR-DIA-fc970077-10
0.254
WIL-UNI-5578df48-17
0.253
MAR-TRE-04c86cea-17
0.253
MAR-TRE-9c797165-52
0.250
MAR-TRE-9c797165-66
0.250
STE-KUL-2e0d2e88-3
0.250
PET-UNK-4dc48bbe-7
0.250
DRR-IMP-38dce17f-4
0.250
MAR-TRE-2fd8122f-13
0.250
KEI-UNI-85a52787-10
0.250
EMI-TUK-b780fc43-1
0.250
EMI-TUK-6c6b371f-1
0.250
MAR-TRE-f6f5f473-23
0.250
KEI-UNI-85a52787-5
0.247
KEI-UNI-85a52787-1
0.247
BEN-DND-362d364a-11
0.247
WAR-XCH-79d12f6e-5
0.247
PET-UNK-7a31b064-5
0.247
MAR-TRE-9d18ae8c-57
0.247
ANT-DIA-3c79be55-5
0.247
NIM-UNI-36e12f95-1
0.247
MED-UNK-e6e8ef8a-4
0.246
DAN-PUR-3907f623-3
0.246
PET-UNK-4dc48bbe-9
0.246
DAR-DIA-fc970077-12
0.246
ALE-HEI-f28a35b5-8
0.246
DAR-DIA-fc970077-1
0.246
KEI-UNI-85a52787-7
0.245
MAR-TRE-c8530538-63
0.244
MAR-TRE-d0525fbf-14
0.244
KEI-TRE-d5e2018a-79
0.244
WIL-UNI-5578df48-30
0.244
MAR-TRE-04c86cea-46
0.244
MAR-TRE-67513f76-20
0.243
AAR-POS-d2a4d1df-13
0.242
JOH-IMS-62aeb97d-1
0.242
FRA-FAC-9ed5a63a-1
0.242
ALE-HEI-f28a35b5-9
0.242
NIM-UNI-363644a0-1
0.242
KEI-UNI-85a52787-6
0.242
ERI-UCB-ce40166b-22
0.241
DUN-NEW-f8ce3686-17
0.241
MAR-TRE-2fd8122f-8
0.241
MAK-UNK-2c1752f0-2
0.241
PET-UNK-7a31b064-6
0.241
MAR-TRE-2fd8122f-50
0.241
THO-SYG-f9b2970d-4
0.241
MAR-TRE-b77b7921-52
0.241
MAR-TRE-a9136c7b-77
0.240
ASH-UNK-40b46b30-9
0.240
KEI-UNI-85a52787-9
0.240
MAR-TRE-67513f76-73
0.239
PEI-IMP-ca0b2813-1
0.239
MED-UNK-e6e8ef8a-7
0.239
MED-UNK-e6e8ef8a-5
0.239
SAD-SAT-689b7d5a-7
0.238
BEN-DND-362d364a-10
0.238
MAR-TRE-c8530538-15
0.237
WAR-XCH-79d12f6e-8
0.236
JOR-UNI-61e7b1d5-22
0.236
SAD-SAT-2fd372d1-7
0.235
NIM-UNI-b87c0f72-2
0.235
JAN-GHE-4287bd1a-9
0.235
MED-UNK-e6e8ef8a-3
0.235
NIM-UNI-b87c0f72-1
0.235
MAR-TRE-2fd8122f-16
0.235
MAR-TRE-04c86cea-35
0.235