Molecular Properties | |
SMILES: | NC(=O)C#Cc1ccc(CNC(=O)N2CCOCC2)cc1 |
MW: | 287.319 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 84.66 |
cLogP: | 0.0652000000000004 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
activated_acetylene
triple bond
Filter43_michael_acceptor_sp1
alkynyl michael acceptor1
AAR-POS-d2a4d1df-21
PAT-GYR-359dbb24-2
0.754
PAT-GYR-359dbb24-3
0.721
PAT-GYR-de8eec61-4
0.694
PAT-GYR-359dbb24-1
0.690
AAR-POS-d2a4d1df-21
0.690
PAT-GYR-359dbb24-5
0.683
PAT-GYR-de8eec61-1
0.647
PAT-GYR-de8eec61-2
0.620
PAT-GYR-de8eec61-5
0.606
PAT-GYR-de8eec61-7
0.606
PAT-GYR-de8eec61-3
0.595
PAT-GYR-de8eec61-6
0.573
PET-SGC-cb83a00c-1
0.457
SWA-SYN-6423ea73-7
0.429
SWA-SYN-d2e6fa14-7
0.429
WIL-LEE-1f71e281-1
0.410
TAM-UNI-d1c3dd9f-12
0.395
SAD-SAT-f25ee457-9
0.379
JAN-GHE-fd8d85a5-12
0.376
SCO-VAN-260d9628-4
0.376
SAD-SAT-f25ee457-4
0.368
GIA-UNK-3f36037a-6
0.361
DAR-DIA-fb20be43-16
0.360
TAM-UNI-d1c3dd9f-1
0.360
SAD-SAT-f25ee457-2
0.352
MAK-UNK-10799360-19
0.352
TAM-UNI-d1c3dd9f-7
0.351
TAM-UNI-d1c3dd9f-21
0.349
PET-SGC-276eba5a-1
0.340
SAD-SAT-f25ee457-3
0.340
STU-CHA-6cae54d3-1
0.330
SAD-SAT-2fd372d1-2
0.329
DAR-DIA-fb20be43-17
0.326
ANT-DIA-b7f58f21-9
0.326
MAK-UNK-ec98eaf6-25
0.323
PED-UNI-b79f0f51-2
0.314
PAU-WEI-f734c343-2
0.311
LUI-IND-a1be81af-2
0.299
DAR-DIA-caba39e3-12
0.298
DAR-DIA-fb20be43-18
0.298
MAK-UNK-10799360-12
0.296
PED-UNI-a9f4e7c0-1
0.291
PED-UNI-b79f0f51-1
0.290
DAR-DIA-caba39e3-13
0.288
DAR-DIA-03336633-10
0.287
MAK-UNK-f983951f-21
0.283
MAR-TRE-6a44bbf2-67
0.282
MAK-UNK-f983951f-23
0.279
LUI-IND-2c46affe-3
0.276
MAR-TRE-8190bb11-7
0.271
MAK-UNK-9955b1f3-1
0.268
GIA-UNK-3f36037a-2
0.267
WIL-LEE-23e8b574-8
0.265
MAR-TRE-dab8f6ea-29
0.263
COM-UCB-8c7d23dc-10
0.261
MAT-POS-ea426761-27
0.258
NIM-UNI-43fe0159-8
0.256
MAR-TRE-fd17a9b8-7
0.256
SAD-SAT-f0a2747f-1
0.253
KEI-TRE-fa9ada3e-9
0.250
MAR-TRE-3159af1a-88
0.248
MAR-TRE-799db12b-72
0.247
GIA-UNK-d2defdc3-6
0.247
MAK-UNK-748f8b7a-11
0.247
MAK-UNK-be3f299e-5
0.247
JUL-TUD-06b2044f-151
0.245
MAR-TRE-fd17a9b8-62
0.244
PHI-UNK-c3ab17cb-1
0.244
ROB-UNI-b2e39629-12
0.242
MAR-TRE-4b834d9a-92
0.240
MAR-TRE-4b834d9a-57
0.239
MAR-TRE-c317dd82-81
0.239
IAN-BAS-647c7407-1
0.237
PET-SGC-0ecb2cfe-1
0.237
MAR-TRE-67513f76-60
0.236
WIL-NOV-649f4ed0-2
0.236
MAR-LAB-ca4662a6-5
0.235
MAK-UNK-f983951f-6
0.234
DUN-NEW-f8ce3686-13
0.234
MAR-TRE-c317dd82-7
0.233
ARI-TAT-5792557e-4
0.233
MAR-TRE-fd17a9b8-68
0.233
AAR-POS-0daf6b7e-45
0.232
GIA-UNK-eaadd1d4-3
0.232
GIA-UNK-3f36037a-1
0.230
MAR-TRE-fd17a9b8-72
0.229
MAR-TRE-c317dd82-13
0.228
GIA-UNK-30c7cb75-2
0.228
GIA-UNK-d2defdc3-5
0.227
MAR-TRE-3e4e6814-16
0.227
JOH-UNI-27ac80fd-17
0.227
AHN-SAT-de2502ba-16
0.226
MAR-TRE-be9ff7d2-16
0.226
MAR-TRE-3159af1a-82
0.225
MAR-TRE-d3c2bf0e-47
0.225
MAR-TRE-0fda4e82-37
0.225
MAR-TRE-dab8f6ea-20
0.224
AHN-SAT-de2502ba-12
0.224
MAR-TRE-6a44bbf2-20
0.224
SAD-SAT-65574d3f-8
0.224