Molecular Properties | |
SMILES: | N#Cc1ccc(CNC(=O)N2CCOCC2)nc1 |
MW: | 246.27 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 78.25 |
cLogP: | 0.49508 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1765537188 |
Enamine Extended REAL: | s_2708____10212618____908984 |
AAR-POS-d2a4d1df-21
0.581
WIL-LEE-1f71e281-1
0.486
PAT-GYR-359dbb24-1
0.485
SAD-SAT-f25ee457-9
0.481
PAT-GYR-359dbb24-2
0.471
JAN-GHE-fd8d85a5-12
0.463
PAT-GYR-359dbb24-4
0.457
DAR-DIA-fb20be43-17
0.452
SCO-VAN-260d9628-4
0.444
PAT-GYR-de8eec61-4
0.438
PAT-GYR-359dbb24-3
0.438
SAD-SAT-f25ee457-4
0.434
PAT-GYR-359dbb24-5
0.432
SAD-SAT-f25ee457-3
0.432
PET-SGC-276eba5a-1
0.432
DAR-DIA-fb20be43-16
0.424
TAM-UNI-d1c3dd9f-1
0.424
DAR-DIA-caba39e3-12
0.406
PAT-GYR-de8eec61-1
0.400
PAT-GYR-de8eec61-5
0.390
PAT-GYR-de8eec61-7
0.390
PAT-GYR-de8eec61-2
0.386
SAD-SAT-f25ee457-2
0.384
MAK-UNK-ec98eaf6-25
0.379
TRY-UNI-1fd04853-12
0.378
PAU-WEI-f734c343-2
0.378
ANT-DIA-b7f58f21-9
0.373
PAT-GYR-de8eec61-3
0.372
PAT-GYR-de8eec61-6
0.372
SWA-SYN-d2e6fa14-7
0.351
SWA-SYN-6423ea73-7
0.351
TAM-UNI-d1c3dd9f-21
0.349
TAM-UNI-d1c3dd9f-12
0.345
STU-CHA-6cae54d3-1
0.345
DAR-DIA-fb20be43-18
0.341
VIK-SYN-9a3d118a-8
0.333
DAR-DIA-caba39e3-13
0.327
TAM-UNI-d1c3dd9f-7
0.323
MAK-UNK-10799360-12
0.309
MAK-UNK-10799360-19
0.309
PHI-UNK-c3ab17cb-1
0.305
MAK-UNK-30aad1f1-2
0.302
DAR-DIA-03336633-10
0.301
MAK-UNK-be3f299e-5
0.300
PET-SGC-cb62ec31-1
0.299
ROB-UNI-b2e39629-12
0.295
PET-SGC-0ecb2cfe-1
0.292
MAK-UNK-af83ef51-25
0.291
MAK-UNK-9955b1f3-1
0.291
GIA-UNK-3f36037a-6
0.289
MAR-TRE-be9ff7d2-16
0.287
MAR-TRE-c317dd82-96
0.286
MAR-TRE-8190bb11-7
0.286
MAK-UNK-f983951f-21
0.283
MAR-TRE-6a44bbf2-67
0.282
BEN-VAN-77cef4f8-8
0.282
BEN-VAN-77cef4f8-7
0.282
WIL-LEE-23e8b574-8
0.280
MAR-TRE-dab8f6ea-45
0.279
JOR-UNI-61e7b1d5-17
0.279
MAR-TRE-dab8f6ea-29
0.278
JOR-UNI-61e7b1d5-4
0.277
AAR-POS-d2a4d1df-5
0.277
MAR-TRE-c317dd82-7
0.276
BEN-VAN-77cef4f8-13
0.275
BEN-VAN-77cef4f8-14
0.275
MAK-UNK-72659d64-4
0.270
MAK-UNK-af83ef51-32
0.270
LUI-IND-a1be81af-2
0.270
JAN-GHE-fd8d85a5-1
0.268
WAR-XCH-72a8c209-1
0.267
GIA-UNK-3f36037a-2
0.267
BEN-VAN-77cef4f8-10
0.266
BEN-VAN-77cef4f8-11
0.266
MAR-TRE-dab8f6ea-7
0.265
MAK-UNK-af83ef51-26
0.265
MAR-TRE-67513f76-60
0.264
WIL-NOV-649f4ed0-2
0.264
BEN-VAN-77cef4f8-9
0.264
MAR-TRE-f5c2d31c-64
0.264
MAR-TRE-dab8f6ea-41
0.261
GIA-UNK-30c7cb75-2
0.260
MAR-TRE-9c797165-58
0.259
MAR-TRE-a9136c7b-17
0.258
MAR-TRE-dab8f6ea-14
0.258
MAR-TRE-fd17a9b8-62
0.258
JOH-UNI-522b0723-10
0.258
SAD-SAT-24589cd1-6
0.258
JAC-SHE-cfe9e938-1
0.257
DRR-IMP-dff87f5e-9
0.256
JAN-GHE-fd8d85a5-7
0.256
BRU-LEF-ae0885ba-1
0.256
DAR-DIA-fb20be43-4
0.256
PAU-UNI-52c0427f-1
0.256
BAR-COM-4e090d3a-58
0.256
MAR-TRE-c317dd82-13
0.256
JOR-UNI-61e7b1d5-3
0.255
PED-UNI-b79f0f51-2
0.255
DRR-IMP-38dce17f-7
0.253
MAK-UNK-6ca90168-14
0.253