Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1Nc1ccc2[nH]ccc2c1 |
MW: | 277.331 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 76.53 |
cLogP: | 3.60998 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-5
MAK-UNK-516d8086-18
0.500
GAB-REV-df64cf17-12
0.488
GAB-REV-df64cf17-18
0.409
GAB-REV-df64cf17-2
0.389
PET-SGC-0f1d26ed-1
0.381
GAB-REV-df64cf17-6
0.380
JOR-UNI-61e7b1d5-1
0.379
TRY-UNI-1fd04853-2
0.348
GAB-REV-df64cf17-20
0.344
NIR-THE-0d6461ce-7
0.341
GAB-REV-df64cf17-22
0.330
GAB-REV-df64cf17-3
0.319
GAB-REV-df64cf17-8
0.312
PET-SGC-9a4d8c0f-1
0.312
LIZ-THE-7023c732-2
0.310
SID-ELM-433ea7f3-3
0.309
GAB-REV-df64cf17-4
0.306
SID-ELM-433ea7f3-1
0.304
TRY-UNI-1fd04853-1
0.298
PET-SGC-175e168c-1
0.298
GAB-REV-df64cf17-7
0.294
SID-ELM-433ea7f3-4
0.292
AAR-POS-d2a4d1df-5
0.292
SID-ELM-433ea7f3-2
0.290
MAK-UNK-516d8086-13
0.289
JAN-UNI-2e92c4b1-4
0.287
SAD-SAT-cefd50cc-10
0.287
GAB-REV-df64cf17-21
0.287
MAK-UNK-516d8086-3
0.286
GAB-REV-df64cf17-19
0.286
PET-SGC-90aed325-1
0.286
BEN-DND-362d364a-6
0.286
MAK-UNK-516d8086-7
0.284
JAN-UNI-2e92c4b1-3
0.284
PET-SGC-39d74636-2
0.284
GAB-REV-df64cf17-9
0.280
PET-SGC-f147f0b6-1
0.279
MAK-UNK-516d8086-21
0.278
GAB-REV-df64cf17-16
0.276
MAK-UNK-516d8086-19
0.273
GAB-REV-df64cf17-15
0.271
GAB-REV-df64cf17-11
0.270
JAN-UNI-2e92c4b1-5
0.270
GAB-REV-df64cf17-17
0.269
PET-SGC-34dcf0dc-1
0.269
MAK-UNK-516d8086-25
0.267
JAN-GHE-fd8d85a5-1
0.267
JOR-UNI-61e7b1d5-13
0.266
JAN-GHE-fd8d85a5-4
0.266
MAK-UNK-516d8086-9
0.265
MAK-UNK-148caf23-4
0.263
MAK-UNK-516d8086-20
0.263
GAB-REV-df64cf17-14
0.262
GAB-REV-df64cf17-1
0.260
VLA-UCB-00f2c2b3-1
0.260
JOR-UNI-61e7b1d5-23
0.259
JAN-GHE-fd8d85a5-11
0.258
MAK-UNK-ec98eaf6-37
0.257
JOR-UNI-61e7b1d5-8
0.257
PET-SGC-0f1d26ed-2
0.256
DAR-DIA-fb20be43-4
0.255
PAU-UNI-52c0427f-1
0.255
BRU-LEF-ae0885ba-1
0.255
JAN-GHE-fd8d85a5-5
0.255
NAU-LAT-64f4b287-8
0.253
MAK-UNK-516d8086-5
0.253
JOR-UNI-61e7b1d5-15
0.252
JOR-UNI-61e7b1d5-4
0.252
GAB-REV-df64cf17-5
0.250
JOR-UNI-61e7b1d5-6
0.250
MAK-UNK-ec98eaf6-22
0.250
JOR-UNI-61e7b1d5-27
0.248
JOR-UNI-61e7b1d5-21
0.248
JAN-GHE-fd8d85a5-6
0.247
NIR-THE-0d6461ce-6
0.245
MAK-UNK-516d8086-1
0.242
JOR-UNI-61e7b1d5-19
0.241
GAB-REV-df64cf17-10
0.240
ANT-DIA-3c79be55-3
0.240
JOR-UNI-61e7b1d5-29
0.239
MAK-UNK-516d8086-8
0.238
JOR-UNI-61e7b1d5-31
0.237
WIL-UNI-d4749f31-14
0.236
MAK-UNK-516d8086-10
0.235
MAK-UNK-516d8086-11
0.233
JOR-UNI-61e7b1d5-25
0.233
JOR-UNI-61e7b1d5-17
0.233
MAK-UNK-516d8086-17
0.231
MAK-UNK-516d8086-23
0.231
LIZ-THE-7023c732-1
0.230
PAU-WEI-f734c343-3
0.229
MAK-UNK-516d8086-4
0.228
MED-COV-4280ac29-34
0.227
MAK-UNK-51bb34f9-3
0.224
MAK-UNK-ec98eaf6-15
0.224
MAR-UNI-9d4da90d-2
0.224
MAD-UNK-2d4faae7-1
0.222
THO-SYG-98fc3427-6
0.220
MAK-UNK-51bb34f9-2
0.220
JOR-UNI-61e7b1d5-11
0.220