Molecular Properties | |
SMILES: | O=C(NCc1ccc(C#Cc2ccccc2)cc1)N1CCOCC1 |
MW: | 320.392 |
Fraction sp3: | 0.25 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 41.57 |
cLogP: | 2.6282 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
triple bond
MAT-POS-7dfc56d9-1
PAT-GYR-359dbb24-2
0.717
PAT-GYR-de8eec61-5
0.696
PAT-GYR-de8eec61-7
0.696
PAT-GYR-359dbb24-4
0.694
PAT-GYR-de8eec61-1
0.691
PAT-GYR-359dbb24-3
0.662
PAT-GYR-de8eec61-6
0.658
AAR-POS-d2a4d1df-21
0.656
PAT-GYR-359dbb24-1
0.656
PAT-GYR-359dbb24-5
0.652
PAT-GYR-de8eec61-3
0.635
PAT-GYR-de8eec61-2
0.573
PET-SGC-cb83a00c-1
0.438
GIA-UNK-3f36037a-6
0.423
SWA-SYN-6423ea73-7
0.411
SWA-SYN-d2e6fa14-7
0.411
TAM-UNI-d1c3dd9f-12
0.398
WIL-LEE-1f71e281-1
0.395
SAD-SAT-2fd372d1-2
0.389
TAM-UNI-d1c3dd9f-21
0.386
SAD-SAT-f25ee457-4
0.371
TAM-UNI-d1c3dd9f-7
0.368
JAN-GHE-fd8d85a5-12
0.364
SCO-VAN-260d9628-4
0.364
MAK-UNK-10799360-19
0.355
SAD-SAT-f25ee457-9
0.352
TAM-UNI-d1c3dd9f-1
0.348
DAR-DIA-fb20be43-16
0.348
SAD-SAT-f25ee457-3
0.344
DAR-DIA-03336633-10
0.333
PET-SGC-276eba5a-1
0.330
ANT-DIA-b7f58f21-9
0.330
SAD-SAT-f25ee457-2
0.326
GIA-UNK-3f36037a-2
0.324
STU-CHA-6cae54d3-1
0.319
DAR-DIA-caba39e3-13
0.317
DAR-DIA-fb20be43-17
0.316
DAR-DIA-caba39e3-12
0.314
MAK-UNK-ec98eaf6-25
0.314
LUI-IND-a1be81af-2
0.303
PAU-WEI-f734c343-2
0.302
PED-UNI-b79f0f51-2
0.294
DAR-DIA-fb20be43-18
0.289
MAK-UNK-10799360-12
0.287
WIL-LEE-23e8b574-8
0.286
GIA-UNK-eaadd1d4-3
0.284
GIA-UNK-d2defdc3-6
0.284
MAK-UNK-9955b1f3-1
0.283
MAR-TRE-0fda4e82-37
0.278
GIA-UNK-d2defdc3-5
0.276
ARI-TAT-5792557e-4
0.275
IAN-BAS-647c7407-1
0.274
MAR-TRE-66ac689e-61
0.273
PED-UNI-a9f4e7c0-1
0.272
MAR-TRE-6a44bbf2-67
0.272
MAK-UNK-f983951f-21
0.270
MAR-TRE-dab8f6ea-29
0.268
MAK-UNK-f983951f-23
0.268
MAR-TRE-fd17a9b8-68
0.267
LUI-IND-2c46affe-3
0.267
COM-UCB-8c7d23dc-10
0.266
SCO-CSI-e30c12ee-1
0.262
MAR-TRE-8190bb11-7
0.261
MAR-TRE-fd17a9b8-7
0.261
PED-UNI-b79f0f51-1
0.259
AAR-POS-0daf6b7e-28
0.257
DUN-NEW-f8ce3686-13
0.253
ALP-POS-bad7201a-6
0.250
MAR-TRE-fd17a9b8-62
0.250
MAT-POS-ea426761-27
0.250
NIM-UNI-43fe0159-8
0.247
MAR-TRE-0fda4e82-52
0.247
JOH-UNI-c7afdb96-15
0.247
AHN-SAT-de2502ba-7
0.247
GIA-UNK-3f36037a-5
0.247
MAR-TRE-4b834d9a-57
0.245
MAR-TRE-6a44bbf2-20
0.244
SAD-SAT-65574d3f-8
0.244
AHN-SAT-de2502ba-12
0.244
NIM-UNI-7f77122c-2
0.244
MAK-UNK-752736de-12
0.243
AAR-POS-0daf6b7e-44
0.243
WIL-NOV-649f4ed0-2
0.242
GIA-UNK-20b63697-2
0.241
MAR-TRE-6a44bbf2-34
0.241
MAR-TRE-fd17a9b8-91
0.241
AAR-UNI-c25c2f1e-51
0.241
ALP-POS-8ed8d9ec-6
0.240
MAR-TRE-c317dd82-7
0.239
MAR-TRE-799db12b-72
0.239
ALP-POS-bad7201a-1
0.238
MAR-TRE-dab8f6ea-5
0.238
SAD-SAT-29425be4-29
0.237
MAK-UNK-be3f299e-5
0.237
MAK-UNK-748f8b7a-11
0.237
ROB-UNI-b2e39629-12
0.235
MAK-UNK-15efde89-1
0.235
MAR-TRE-c317dd82-13
0.234
DRA-CSI-47e38074-8
0.233
MAR-TRE-be9ff7d2-16
0.233