Molecular Properties | |
SMILES: | CN1CCN(C(=O)CNc2c(S(N)(=O)=O)ccc3ccccc23)CC1 |
MW: | 362.455 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 95.74 |
cLogP: | 0.673100000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z3075792052 |
Enamine Extended REAL: | s_27____2196926____12621818 |
MolPort: | MolPort-047-472-872 |
Order Status | |
Ordered: | 2020-04-29 |
Synthesis Location: | enamine |
Shipped: | 2020-05-26 |
AAR-POS-d2a4d1df-1
MIC-UNK-a28eba03-2
0.400
AAR-POS-d2a4d1df-6
0.321
MIC-UNK-460e637d-1
0.307
IND-SYN-6c8299e8-4
0.307
DRR-IMP-db50bf6e-4
0.302
JAR-KUA-672ec752-11
0.301
AAR-POS-d2a4d1df-20
0.292
JOH-IMS-cc7b4c67-1
0.286
SID-ELM-1f105489-3
0.286
STE-KUL-2e0d2e88-2
0.283
SID-ELM-1f105489-6
0.283
MIC-UNK-a28eba03-1
0.280
NIC-UNI-f08e2453-1
0.274
MAK-UNK-7264f48c-6
0.273
AAR-POS-0daf6b7e-44
0.273
SID-ELM-1f105489-4
0.272
NAU-LAT-ec9c7557-3
0.270
WAR-XCH-b6889685-28
0.269
MAK-UNK-6ca90168-1
0.267
MAK-UNK-6ca90168-2
0.267
MAR-TRE-f5c2d31c-58
0.267
MIC-UNK-a28eba03-4
0.267
PAU-UNI-b2b6b158-1
0.267
SID-ELM-1f105489-1
0.264
NIC-BIO-2722da07-1
0.263
MED-COV-4280ac29-5
0.263
MAK-UNK-b1917cc8-1
0.262
JOO-IND-6372a4f3-4
0.261
AAR-POS-d2a4d1df-40
0.261
MED-COV-4280ac29-31
0.261
KRI-MAR-d2e3ef86-15
0.260
MAK-UNK-b1917cc8-3
0.260
NIC-BIO-174c9b04-1
0.258
MAK-UNK-69bf97dd-4
0.257
MAK-UNK-b1917cc8-2
0.256
SAN-PRS-3c4a6997-9
0.256
SID-ELM-1f105489-5
0.256
SID-ELM-1f105489-7
0.255
SWA-SYN-d2e6fa14-2
0.253
SWA-SYN-6423ea73-2
0.253
MAR-LAB-ff9967db-6
0.253
MAR-LAB-ff9967db-13
0.253
NIC-BIO-5044b423-1
0.253
NIC-BIO-2722da07-2
0.252
UNK-UNK-2ede4078-53
0.250
SID-ELM-1f105489-9
0.250
BAR-COM-4e090d3a-24
0.250
DAR-DIA-fb20be43-6
0.250
MIH-UNI-e573136b-4
0.250
SID-ELM-1f105489-8
0.250
JAR-KUA-41bd5a3d-9
0.250
SAD-SAT-135344c3-7
0.250
MIC-UNK-460e637d-3
0.248
MAR-SOS-82e3a7c7-4
0.247
MAR-TRE-3159af1a-43
0.247
MAR-SOS-c7881798-7
0.247
VLA-UCB-05e51b3f-1
0.247
NAU-LAT-a5c7d7cb-1
0.247
ALP-POS-6747fa38-1
0.247
BEN-DND-6de5dfa0-11
0.247
NIR-THE-d08c3b48-1
0.247
JOO-IND-3132366c-1
0.245
SID-ELM-1f105489-12
0.245
SID-ELM-1f105489-17
0.245
JAR-KUA-672ec752-14
0.244
SID-ELM-1f105489-2
0.244
MAK-UNK-7c9d1431-27
0.244
MAR-TRE-0fda4e82-27
0.244
DAR-DIA-ecdbc7dd-7
0.244
MAK-UNK-e05327b2-8
0.243
MAR-SOS-82e3a7c7-5
0.242
MAR-SOS-c7881798-10
0.242
MAR-TRE-4b834d9a-32
0.242
MIC-UNK-a28eba03-3
0.242
DRR-IMP-dff87f5e-2
0.242
MAK-UNK-7c9d1431-3
0.242
DRV-UNK-64047f27-8
0.240
DRV-UNK-dd7f8c68-1
0.240
DAR-DIA-fb20be43-7
0.240
WIL-NOV-649f4ed0-2
0.240
DAR-DIA-8e329c92-13
0.239
JOO-IND-6372a4f3-6
0.239
EDJ-MED-139368ae-5
0.239
JOH-IMS-cc7b4c67-3
0.239
MIC-UNK-460e637d-2
0.239
DRV-UNK-dd7f8c68-4
0.238
DRV-UNK-64047f27-5
0.238
ALE-HEI-f28a35b5-16
0.238
MAK-UNK-ec98eaf6-19
0.238
CLI-SEL-cf46d3af-1
0.237
DAR-DIA-fb20be43-2
0.237
JOO-IND-6372a4f3-5
0.237
SCO-VAN-260d9628-1
0.235
MAK-UNK-7c9d1431-12
0.235
ALE-HEI-f28a35b5-17
0.235
NIR-THE-0d6461ce-5
0.235
DAR-DIA-fb20be43-8
0.234
NIC-BIO-174c9b04-2
0.234
PAU-UNI-19862c28-1
0.234
JOH-UNI-2440d4f3-1
0.234