Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1OCc1ccc2[nH]ccc2c1 |
MW: | 292.342 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 73.73 |
cLogP: | 3.44538 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-5
GAB-REV-df64cf17-3
0.649
GAB-REV-df64cf17-13
0.488
LIZ-THE-7023c732-2
0.395
GAB-REV-df64cf17-8
0.372
GAB-REV-df64cf17-4
0.351
GAB-REV-df64cf17-2
0.347
GAB-REV-df64cf17-7
0.337
GAB-REV-df64cf17-14
0.330
MAK-UNK-516d8086-13
0.320
MAK-UNK-516d8086-3
0.316
GAB-REV-df64cf17-19
0.316
GAB-REV-df64cf17-6
0.313
MAK-UNK-516d8086-9
0.309
PET-SGC-0f1d26ed-1
0.308
VLA-UCB-00f2c2b3-1
0.305
GAB-REV-df64cf17-18
0.296
JOR-UNI-61e7b1d5-1
0.295
PET-SGC-9a4d8c0f-1
0.286
MAK-UNK-516d8086-25
0.284
MAK-UNK-516d8086-5
0.283
GAB-REV-df64cf17-20
0.282
AAR-POS-d2a4d1df-5
0.280
GAB-REV-df64cf17-5
0.280
GAB-REV-df64cf17-16
0.280
LIZ-THE-7023c732-1
0.279
SAD-SAT-cefd50cc-10
0.278
JAN-UNI-2e92c4b1-4
0.278
MAK-UNK-516d8086-18
0.277
MAK-UNK-516d8086-19
0.277
BEN-DND-362d364a-6
0.276
PET-SGC-90aed325-1
0.276
MAK-UNK-516d8086-7
0.276
GAB-REV-df64cf17-15
0.276
PET-SGC-39d74636-2
0.275
JAN-UNI-2e92c4b1-5
0.275
JAN-UNI-2e92c4b1-3
0.275
GAB-REV-df64cf17-11
0.275
GAB-REV-df64cf17-17
0.274
GAB-REV-df64cf17-9
0.271
MAK-UNK-516d8086-21
0.270
PET-SGC-f147f0b6-1
0.270
TRY-UNI-1fd04853-2
0.268
GAB-REV-df64cf17-22
0.267
GAB-REV-df64cf17-1
0.265
GAB-REV-df64cf17-21
0.265
MAK-UNK-516d8086-10
0.265
MAK-UNK-516d8086-11
0.262
MAK-UNK-516d8086-1
0.260
MAK-UNK-516d8086-17
0.260
JAN-GHE-fd8d85a5-1
0.258
JAN-GHE-fd8d85a5-4
0.258
MAK-UNK-516d8086-8
0.255
MAK-UNK-516d8086-20
0.255
NIR-THE-0d6461ce-6
0.250
NIR-THE-0d6461ce-7
0.250
TRY-UNI-1fd04853-1
0.250
PET-SGC-175e168c-1
0.250
MAK-UNK-516d8086-23
0.248
BRU-LEF-ae0885ba-1
0.247
PAU-UNI-52c0427f-1
0.247
DAR-DIA-fb20be43-4
0.247
PET-SGC-34dcf0dc-1
0.247
JAN-GHE-fd8d85a5-5
0.247
GAB-REV-df64cf17-10
0.245
JAN-GHE-fd8d85a5-6
0.240
JOR-UNI-61e7b1d5-8
0.239
MAK-UNK-ec98eaf6-37
0.238
MAK-UNK-516d8086-24
0.238
JOR-UNI-61e7b1d5-13
0.237
JOR-UNI-61e7b1d5-4
0.235
PET-SGC-0f1d26ed-2
0.234
MED-COV-4280ac29-34
0.232
MAK-UNK-c7aa8293-5
0.231
MAK-UNK-ec98eaf6-22
0.231
JOR-UNI-61e7b1d5-27
0.231
JOR-UNI-61e7b1d5-21
0.230
MAK-UNK-516d8086-22
0.229
JOR-UNI-61e7b1d5-17
0.227
SID-ELM-433ea7f3-1
0.225
SID-ELM-433ea7f3-3
0.225
JAN-GHE-fd8d85a5-11
0.224
JOR-UNI-61e7b1d5-15
0.224
JOR-UNI-61e7b1d5-19
0.224
PAU-WEI-f734c343-3
0.223
JOR-UNI-61e7b1d5-6
0.222
JOR-UNI-61e7b1d5-29
0.222
SID-ELM-433ea7f3-4
0.221
MAK-UNK-516d8086-32
0.221
MAK-UNK-516d8086-4
0.221
JOR-UNI-61e7b1d5-31
0.220
JOR-UNI-61e7b1d5-23
0.220
MAR-TRE-14ce9fd6-97
0.220
GIA-UNK-b9c616ea-3
0.219
MAK-UNK-ec98eaf6-15
0.218
WIL-UNI-d4749f31-14
0.218
NAU-LAT-64f4b287-8
0.217
JOR-UNI-61e7b1d5-25
0.217
MAR-UNI-9d4da90d-2
0.216
MAD-UNK-2d4faae7-1
0.216
SID-ELM-433ea7f3-2
0.216