Molecular Properties | |
SMILES: | CC(=O)N1CCOC(CNc2ncc(C#N)c(N)n2)C1 |
MW: | 276.13 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 117.16 |
cLogP: | -0.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4503204995 |
MolPort: | MolPort-044-711-256 |
aniline
MAR-TRE-dab8f6ea-21
0.440
MAR-TRE-dab8f6ea-48
0.438
MAR-TRE-dab8f6ea-43
0.409
MAR-TRE-dab8f6ea-32
0.384
MAR-TRE-dab8f6ea-23
0.380
MAR-TRE-6c5ef77a-8
0.314
BEN-VAN-77cef4f8-8
0.297
MAR-TRE-0fda4e82-5
0.296
BEN-VAN-77cef4f8-7
0.286
JAN-GHE-fd8d85a5-1
0.275
MAR-TRE-0fda4e82-4
0.275
BEN-VAN-77cef4f8-9
0.270
BEN-VAN-77cef4f8-14
0.269
BEN-VAN-77cef4f8-13
0.269
JAN-GHE-fd8d85a5-6
0.268
MAR-TRE-a3327163-46
0.268
MAR-TRE-6c5ef77a-1
0.266
MAR-TRE-0fda4e82-1
0.265
MAR-TRE-6c5ef77a-22
0.263
BEN-VAN-77cef4f8-11
0.261
JOH-UNI-522b0723-11
0.260
MAR-TRE-6c5ef77a-45
0.257
MAR-TRE-6c5ef77a-35
0.255
TRY-UNI-9f475305-9
0.254
JAR-KUA-672ec752-1
0.252
MAR-TRE-c317dd82-29
0.252
BEN-VAN-77cef4f8-10
0.250
JAN-GHE-fd8d85a5-5
0.250
MAR-TRE-a3327163-9
0.250
SAD-SAT-f25ee457-1
0.248
JAN-GHE-fd8d85a5-4
0.247
BEN-VAN-77cef4f8-1
0.246
MAR-TRE-dab8f6ea-9
0.245
BEN-VAN-77cef4f8-2
0.244
MAR-TRE-dab8f6ea-28
0.240
DAV-CRI-d1e0885a-2
0.240
DAV-CRI-d1e0885a-6
0.240
NAU-LAT-3f5f3993-2
0.239
SAD-SAT-24589cd1-9
0.236
JOH-UNI-522b0723-13
0.236
LUI-IND-2c46affe-1
0.235
SAD-SAT-89668ff1-3
0.235
UNK-CYC-68f84b31-55
0.234
MAR-TRE-9c797165-16
0.234
BEN-VAN-77cef4f8-3
0.233
MAK-UNK-a7992eb3-18
0.233
MAR-TRE-be9ff7d2-88
0.233
DAV-CRI-d1e0885a-3
0.232
SAD-SAT-89668ff1-9
0.232
KIM-UNI-7d12df64-2
0.232
MAR-TRE-0fda4e82-34
0.231
JON-UNI-2a110085-3
0.231
SAD-SAT-1b030f84-10
0.231
MAR-TRE-3159af1a-90
0.231
MAK-UNK-a7992eb3-21
0.230
PED-UNI-b79f0f51-2
0.230
NIR-THE-0d6461ce-6
0.228
BEN-VAN-77cef4f8-12
0.228
ALP-POS-88a7a97e-27
0.227
JAN-GHE-fd8d85a5-3
0.227
JAN-GHE-fd8d85a5-8
0.227
PET-SGC-cb83a00c-1
0.226
MAR-TRE-9c797165-90
0.225
AAR-POS-0daf6b7e-38
0.225
PAT-UNK-b2d83456-1
0.225
DAR-DIA-fb20be43-4
0.224
BRU-LEF-ae0885ba-1
0.224
PAU-UNI-52c0427f-1
0.224
DAV-CRI-d1e0885a-4
0.224
UNK-CYC-68f84b31-72
0.224
LON-WEI-4d77710c-13
0.224
LON-WEI-5e7d1b3e-13
0.224
JAN-GHE-fd8d85a5-7
0.223
JAN-UNI-2e92c4b1-5
0.223
MAK-UNK-3f402c2b-13
0.222
AAR-POS-d2a4d1df-21
0.222
MAR-TRE-6c5ef77a-34
0.222
MAR-TRE-d0525fbf-93
0.221
MAR-TRE-a3327163-33
0.221
UNK-CYC-68f84b31-7
0.220
BEN-DND-362d364a-3
0.220
MIC-UNK-460e637d-3
0.219
MAR-TRE-1c920f6f-10
0.219
DAR-DIA-fb20be43-17
0.218
MAR-TRE-dab8f6ea-6
0.218
AAR-POS-0daf6b7e-23
0.217
BEN-DND-6de5dfa0-26
0.217
JAN-GHE-fd8d85a5-12
0.217
JOH-UNI-522b0723-9
0.217
MAR-TRE-a3327163-37
0.217
MAR-TRE-6c5ef77a-84
0.216
ROB-UNI-b2e39629-12
0.216
JOH-UNI-abdb2f0c-2
0.216
MAK-UNK-849bee6c-1
0.216
JOH-UNI-522b0723-10
0.216
MAR-TRE-be9ff7d2-99
0.216
NIR-THE-0d6461ce-7
0.216
MAK-UNK-849bee6c-20
0.216
JOH-UNI-27ac80fd-5
0.215
JOH-UNI-522b0723-8
0.215