Molecular Properties | |
SMILES: | O=C(NCc1ccc(C#CBr)cc1)N1CCOCC1 |
MW: | 323.19 |
Fraction sp3: | 0.36 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 41.57 |
cLogP: | 1.9323 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
triple bond
Filter9_metal
AAR-POS-d2a4d1df-21
PAT-GYR-359dbb24-4
0.754
PAT-GYR-359dbb24-3
0.717
PAT-GYR-de8eec61-4
0.717
AAR-POS-d2a4d1df-21
0.714
PAT-GYR-359dbb24-1
0.714
PAT-GYR-359dbb24-5
0.705
PAT-GYR-de8eec61-1
0.642
PAT-GYR-de8eec61-2
0.638
PAT-GYR-de8eec61-5
0.623
PAT-GYR-de8eec61-7
0.623
PAT-GYR-de8eec61-3
0.589
PAT-GYR-de8eec61-6
0.589
PET-SGC-cb83a00c-1
0.471
SWA-SYN-6423ea73-7
0.463
SWA-SYN-d2e6fa14-7
0.463
TAM-UNI-d1c3dd9f-12
0.423
WIL-LEE-1f71e281-1
0.421
SCO-VAN-260d9628-4
0.402
JAN-GHE-fd8d85a5-12
0.386
TAM-UNI-d1c3dd9f-1
0.384
DAR-DIA-fb20be43-16
0.384
SAD-SAT-f25ee457-4
0.376
TAM-UNI-d1c3dd9f-21
0.375
MAK-UNK-10799360-19
0.375
TAM-UNI-d1c3dd9f-7
0.374
SAD-SAT-f25ee457-9
0.372
GIA-UNK-3f36037a-6
0.371
STU-CHA-6cae54d3-1
0.369
DAR-DIA-fb20be43-17
0.364
PET-SGC-276eba5a-1
0.363
ANT-DIA-b7f58f21-9
0.349
SAD-SAT-f25ee457-3
0.348
SAD-SAT-f25ee457-2
0.345
MAK-UNK-ec98eaf6-25
0.344
PAU-WEI-f734c343-2
0.343
SAD-SAT-2fd372d1-2
0.338
DAR-DIA-fb20be43-18
0.333
MAK-UNK-10799360-12
0.330
LUI-IND-a1be81af-2
0.321
PED-UNI-b79f0f51-2
0.320
DAR-DIA-caba39e3-12
0.317
MAK-UNK-f983951f-21
0.316
MAK-UNK-f983951f-23
0.308
DAR-DIA-03336633-10
0.308
DAR-DIA-caba39e3-13
0.307
MAR-TRE-6a44bbf2-67
0.307
PED-UNI-a9f4e7c0-1
0.284
MAK-UNK-9955b1f3-1
0.284
PED-UNI-b79f0f51-1
0.283
NIM-UNI-43fe0159-8
0.278
MAR-TRE-fd17a9b8-7
0.276
GIA-UNK-3f36037a-2
0.274
WIL-LEE-23e8b574-8
0.272
MAK-UNK-be3f299e-5
0.271
MAR-TRE-dab8f6ea-29
0.269
LUI-IND-2c46affe-3
0.267
DUN-NEW-f8ce3686-13
0.267
MAR-TRE-fd17a9b8-62
0.264
MAT-POS-ea426761-27
0.263
AHN-SAT-de2502ba-16
0.263
MAK-UNK-f983951f-6
0.262
MAR-TRE-8190bb11-7
0.262
ROB-UNI-b2e39629-12
0.260
MAR-LAB-ca4662a6-5
0.256
PET-SGC-0ecb2cfe-1
0.256
MAR-TRE-fd17a9b8-68
0.253
MAR-TRE-c317dd82-7
0.253
COM-UCB-8c7d23dc-10
0.253
ARI-TAT-5792557e-4
0.250
MAR-TRE-fd17a9b8-72
0.247
MAR-TRE-c317dd82-13
0.247
GIA-UNK-d2defdc3-5
0.247
MAR-TRE-be9ff7d2-16
0.247
SAD-SAT-6b5a89f0-2
0.246
MAK-UNK-69bf97dd-5
0.245
MAR-TRE-4b834d9a-92
0.245
MAR-TRE-4b834d9a-57
0.244
MAR-TRE-6a44bbf2-20
0.244
AHN-SAT-de2502ba-12
0.244
AHN-SAT-de2502ba-9
0.244
SAD-SAT-65574d3f-8
0.244
MAR-TRE-c317dd82-96
0.244
DRR-IMP-38dce17f-7
0.243
MAK-UNK-6ca90168-14
0.243
ROB-UNI-b2e39629-11
0.242
IAN-BAS-647c7407-1
0.241
MAR-TRE-6a44bbf2-34
0.241
BEN-DND-93268d01-10
0.241
MAK-UNK-7c9d1431-16
0.237
MAR-TRE-6a44bbf2-54
0.237
GIA-UNK-eaadd1d4-3
0.237
GIA-UNK-d2defdc3-6
0.237
JUL-TUD-06b2044f-151
0.237
BAR-COM-0f94fc3d-33
0.237
GIA-UNK-3f36037a-1
0.236
MAR-TRE-fd17a9b8-85
0.234
JON-UNI-4b544d07-6
0.234
GIA-UNK-30c7cb75-2
0.234
MAK-UNK-69bf97dd-9
0.233
KEI-TRE-d5e2018a-36
0.233