Molecular Properties | |
SMILES: | C#Cc1ccc(CNC(=O)N2CCOCC2)cc1 |
MW: | 244.294 |
Fraction sp3: | 0.36 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 41.57 |
cLogP: | 1.2097 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_2708____16509042____908984 |
MolPort: | MolPort-047-320-450 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-04-17 |
triple bond
triple_bond
AAR-POS-d2a4d1df-21
AAR-POS-d2a4d1df-21
0.741
PAT-GYR-359dbb24-2
0.714
PAT-GYR-359dbb24-4
0.690
PAT-GYR-359dbb24-3
0.656
PAT-GYR-de8eec61-4
0.656
PAT-GYR-359dbb24-5
0.645
PAT-GYR-de8eec61-1
0.588
PAT-GYR-de8eec61-5
0.571
PAT-GYR-de8eec61-7
0.571
PAT-GYR-de8eec61-2
0.563
PAT-GYR-de8eec61-3
0.541
PAT-GYR-de8eec61-6
0.541
PET-SGC-cb83a00c-1
0.485
SWA-SYN-6423ea73-7
0.455
SWA-SYN-d2e6fa14-7
0.455
WIL-LEE-1f71e281-1
0.432
TAM-UNI-d1c3dd9f-12
0.416
JAN-GHE-fd8d85a5-12
0.395
SCO-VAN-260d9628-4
0.395
SAD-SAT-f25ee457-4
0.386
GIA-UNK-3f36037a-6
0.382
SAD-SAT-f25ee457-9
0.381
TAM-UNI-d1c3dd9f-1
0.376
DAR-DIA-fb20be43-16
0.376
MAK-UNK-10799360-19
0.368
TAM-UNI-d1c3dd9f-21
0.367
TAM-UNI-d1c3dd9f-7
0.367
SAD-SAT-f25ee457-3
0.356
PET-SGC-276eba5a-1
0.356
SAD-SAT-f25ee457-2
0.353
SAD-SAT-2fd372d1-2
0.348
STU-CHA-6cae54d3-1
0.345
ANT-DIA-b7f58f21-9
0.341
DAR-DIA-fb20be43-17
0.341
MAK-UNK-ec98eaf6-25
0.337
DAR-DIA-fb20be43-18
0.326
PAU-WEI-f734c343-2
0.323
PED-UNI-b79f0f51-2
0.314
LUI-IND-a1be81af-2
0.313
DAR-DIA-caba39e3-12
0.310
MAK-UNK-10799360-12
0.309
MAK-UNK-f983951f-21
0.304
PED-UNI-a9f4e7c0-1
0.302
DAR-DIA-caba39e3-13
0.300
DAR-DIA-03336633-10
0.300
MAR-TRE-6a44bbf2-67
0.297
MAK-UNK-f983951f-23
0.297
LUI-IND-2c46affe-3
0.289
GIA-UNK-3f36037a-2
0.282
WIL-LEE-23e8b574-8
0.278
MAK-UNK-9955b1f3-1
0.278
MAR-TRE-dab8f6ea-29
0.276
PED-UNI-b79f0f51-1
0.276
MAK-UNK-f983951f-6
0.271
NIM-UNI-43fe0159-8
0.269
MAT-POS-ea426761-27
0.269
MAR-TRE-8190bb11-7
0.268
MAR-TRE-fd17a9b8-7
0.267
PET-SGC-0ecb2cfe-1
0.261
MAK-UNK-be3f299e-5
0.261
GIA-UNK-eaadd1d4-3
0.260
GIA-UNK-30c7cb75-2
0.257
PHI-UNK-c3ab17cb-1
0.256
MAR-TRE-fd17a9b8-62
0.256
ROB-UNI-b2e39629-12
0.253
MAR-TRE-c317dd82-96
0.250
MAR-LAB-ca4662a6-5
0.247
DUN-NEW-f8ce3686-13
0.244
MAR-TRE-c317dd82-7
0.244
MAR-TRE-dab8f6ea-30
0.244
MAR-TRE-fd17a9b8-68
0.244
GIA-UNK-d2defdc3-6
0.244
GIA-UNK-3f36037a-1
0.243
ARI-TAT-5792557e-4
0.242
JOH-UNI-27ac80fd-17
0.239
MAR-TRE-fd17a9b8-72
0.239
MAK-UNK-69bf97dd-9
0.239
MAR-TRE-dab8f6ea-13
0.239
MAR-TRE-c317dd82-13
0.239
GIA-UNK-d2defdc3-5
0.238
GIA-UNK-30c7cb75-5
0.237
MAR-TRE-be9ff7d2-16
0.237
AHN-SAT-de2502ba-16
0.237
MAR-TRE-0fda4e82-37
0.237
SAD-SAT-f0a2747f-1
0.237
MAR-TRE-c317dd82-81
0.235
MAK-UNK-f983951f-26
0.235
AHN-SAT-de2502ba-12
0.235
SAD-SAT-65574d3f-8
0.235
MAR-TRE-6a44bbf2-20
0.235
IAN-BAS-647c7407-1
0.234
MAR-TRE-fd17a9b8-20
0.234
SAD-SAT-6b5a89f0-2
0.233
MAK-UNK-6ca90168-14
0.233
DRR-IMP-38dce17f-7
0.233
MAR-TRE-dab8f6ea-45
0.233
WIL-NOV-649f4ed0-2
0.233
SAD-SAT-2ceae68f-9
0.232
MAR-TRE-6a44bbf2-34
0.232
NIC-BIO-a68395b7-2
0.232