Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1OCc1ccc2[nH]ncc2c1 |
MW: | 293.33 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 86.62 |
cLogP: | 2.84038 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-5
GAB-REV-df64cf17-12
0.649
GAB-REV-df64cf17-2
0.549
GAB-REV-df64cf17-4
0.529
GAB-REV-df64cf17-5
0.427
GAB-REV-df64cf17-7
0.426
LIZ-THE-7023c732-2
0.418
GAB-REV-df64cf17-6
0.418
GAB-REV-df64cf17-8
0.376
GAB-REV-df64cf17-14
0.347
MAK-UNK-516d8086-13
0.337
GAB-REV-df64cf17-19
0.333
MAK-UNK-516d8086-3
0.333
MAK-UNK-516d8086-9
0.326
GAB-REV-df64cf17-13
0.319
MAK-UNK-516d8086-21
0.312
VLA-UCB-00f2c2b3-2
0.312
PET-SGC-0f1d26ed-1
0.311
MAK-UNK-516d8086-25
0.300
MAK-UNK-516d8086-5
0.299
JOR-UNI-61e7b1d5-1
0.298
LIZ-THE-7023c732-1
0.298
GAB-REV-df64cf17-20
0.297
MAK-UNK-516d8086-18
0.293
MAK-UNK-516d8086-19
0.293
MAK-UNK-516d8086-7
0.292
GAB-REV-df64cf17-11
0.290
PET-SGC-9a4d8c0f-1
0.289
PET-SGC-f147f0b6-1
0.287
GAB-REV-4a4e2ff3-17
0.286
GAB-REV-df64cf17-18
0.286
GAB-REV-df64cf17-16
0.283
MAK-UNK-516d8086-20
0.283
SAD-SAT-cefd50cc-10
0.281
JAN-UNI-2e92c4b1-4
0.281
MAK-UNK-516d8086-10
0.280
PET-SGC-90aed325-1
0.279
BEN-DND-362d364a-6
0.279
GAB-REV-df64cf17-15
0.278
JAN-UNI-2e92c4b1-5
0.278
MAK-UNK-516d8086-11
0.277
GAB-REV-df64cf17-17
0.277
MAK-UNK-516d8086-1
0.276
JAN-GHE-fd8d85a5-1
0.275
GAB-REV-df64cf17-9
0.274
TRY-UNI-1fd04853-2
0.271
GAB-REV-df64cf17-22
0.270
GAB-REV-4a4e2ff3-12
0.270
GAB-REV-df64cf17-1
0.268
GAB-REV-df64cf17-21
0.268
AAR-POS-d2a4d1df-5
0.267
TRY-UNI-1fd04853-1
0.265
PET-SGC-175e168c-1
0.265
NIR-THE-0d6461ce-7
0.265
JAN-UNI-2e92c4b1-3
0.264
PET-SGC-39d74636-2
0.264
PAU-UNI-52c0427f-1
0.263
DAR-DIA-fb20be43-4
0.263
PET-SGC-34dcf0dc-1
0.263
BRU-LEF-ae0885ba-1
0.263
MAK-UNK-516d8086-17
0.262
GAB-REV-df64cf17-10
0.260
MAK-UNK-516d8086-8
0.257
GAB-REV-70cc3ca5-12
0.257
JAN-GHE-fd8d85a5-6
0.255
NIR-THE-0d6461ce-6
0.253
MAK-UNK-ec98eaf6-37
0.252
ALV-UNI-7ff1a6f9-22
0.252
MAK-UNK-516d8086-23
0.250
JAN-GHE-fd8d85a5-5
0.250
JAN-GHE-fd8d85a5-4
0.247
MED-COV-4280ac29-34
0.245
MAK-UNK-ec98eaf6-22
0.245
MAK-UNK-ec98eaf6-15
0.241
JOR-UNI-61e7b1d5-8
0.241
MAK-UNK-516d8086-24
0.240
JOR-UNI-61e7b1d5-13
0.239
JOR-UNI-61e7b1d5-4
0.237
JOR-UNI-61e7b1d5-15
0.237
PET-SGC-0f1d26ed-2
0.237
PAU-WEI-f734c343-3
0.236
MAR-TRE-14ce9fd6-97
0.236
JOR-UNI-61e7b1d5-29
0.235
JOR-UNI-61e7b1d5-27
0.233
JOR-UNI-61e7b1d5-21
0.232
JOR-UNI-61e7b1d5-17
0.229
THO-SYG-98fc3427-7
0.229
JAN-GHE-fd8d85a5-11
0.227
JOR-UNI-61e7b1d5-19
0.226
THO-SYG-98fc3427-4
0.226
JOR-UNI-61e7b1d5-6
0.224
ALV-UNI-7ff1a6f9-30
0.223
MAK-UNK-516d8086-4
0.223
MAK-UNK-516d8086-32
0.223
SID-ELM-433ea7f3-4
0.223
JOR-UNI-61e7b1d5-23
0.222
JOR-UNI-61e7b1d5-31
0.222
ALV-UNI-7ff1a6f9-14
0.221
MAK-UNK-516d8086-22
0.219
JOR-UNI-61e7b1d5-25
0.218
SID-ELM-433ea7f3-2
0.217