Molecular Properties | |
SMILES: | CNc1ncc(C#N)cc1Oc1ccccc1 |
MW: | 225.251 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 57.94 |
cLogP: | 2.78728 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-5
LIZ-THE-7023c732-2
0.696
GAB-REV-df64cf17-14
0.369
GAB-REV-df64cf17-8
0.337
PET-SGC-0f1d26ed-1
0.312
GAB-REV-df64cf17-16
0.310
MAK-UNK-516d8086-1
0.301
GAB-REV-df64cf17-3
0.298
CHR-SOS-7098f804-16
0.296
PET-SGC-f147f0b6-1
0.284
GAB-REV-df64cf17-12
0.279
JAN-UNI-2e92c4b1-4
0.276
GAB-REV-df64cf17-15
0.274
CHR-SOS-363cfb78-7
0.271
RAJ-NOV-842d5654-3
0.268
PET-SGC-9a4d8c0f-1
0.268
MAK-UNK-516d8086-9
0.267
MAK-UNK-516d8086-5
0.267
MAK-UNK-516d8086-21
0.267
JOR-UNI-61e7b1d5-1
0.265
TRY-UNI-1fd04853-2
0.265
MAK-UNK-516d8086-20
0.264
MAK-UNK-516d8086-13
0.264
SAD-SAT-cefd50cc-10
0.262
GAB-REV-df64cf17-21
0.262
MAK-UNK-516d8086-3
0.261
GAB-REV-df64cf17-19
0.261
TRY-UNI-1fd04853-1
0.259
PET-SGC-175e168c-1
0.259
BEN-DND-362d364a-6
0.257
PET-SGC-90aed325-1
0.257
JAN-UNI-2e92c4b1-5
0.256
GAB-REV-df64cf17-17
0.256
GAB-REV-df64cf17-4
0.256
MAK-UNK-30aad1f1-17
0.253
GAB-REV-df64cf17-18
0.253
CHR-SOS-363cfb78-3
0.253
GAB-REV-df64cf17-10
0.253
GAB-REV-df64cf17-2
0.250
MAK-UNK-30aad1f1-16
0.250
MAR-TRE-0fda4e82-34
0.250
MAK-UNK-516d8086-19
0.247
MAK-UNK-516d8086-10
0.247
GAB-REV-df64cf17-1
0.247
MAK-UNK-ed378e62-10
0.246
JOR-UNI-61e7b1d5-8
0.245
MAK-UNK-516d8086-11
0.244
MAK-UNK-30aad1f1-3
0.244
MAK-UNK-516d8086-7
0.244
ALE-UNK-fca05062-8
0.243
DAR-DIA-fb20be43-4
0.241
PAU-UNI-52c0427f-1
0.241
BRU-LEF-ae0885ba-1
0.241
JAN-UNI-2e92c4b1-3
0.241
PET-SGC-39d74636-2
0.241
MAK-UNK-30aad1f1-15
0.239
GAB-REV-df64cf17-9
0.238
AAR-POS-d2a4d1df-5
0.238
JAN-GHE-fd8d85a5-1
0.237
ANN-UNI-26382800-6
0.237
MAR-UNI-9d4da90d-2
0.236
MAR-TRE-a3327163-72
0.235
JOR-UNI-61e7b1d5-21
0.235
BEN-DND-61647d40-7
0.235
TRY-UNI-714a760b-24
0.235
PET-SGC-cb62ec31-1
0.234
MAK-UNK-516d8086-18
0.233
MAK-UNK-ca11b4f7-4
0.232
JOR-UNI-61e7b1d5-17
0.231
GAB-REV-df64cf17-11
0.231
GAB-REV-df64cf17-6
0.231
JOR-UNI-61e7b1d5-13
0.230
NIR-THE-0d6461ce-6
0.230
GAB-REV-df64cf17-13
0.230
NIR-THE-0d6461ce-7
0.230
MAK-UNK-148caf23-4
0.229
JAN-GHE-fd8d85a5-11
0.229
MAK-UNK-516d8086-25
0.228
JOR-UNI-61e7b1d5-15
0.228
JOR-UNI-61e7b1d5-4
0.228
JOR-UNI-61e7b1d5-19
0.228
ALE-UNK-fca05062-7
0.227
JAN-GHE-fd8d85a5-5
0.226
MAR-TRE-14ce9fd6-8
0.226
PET-SGC-34dcf0dc-1
0.226
CHR-SOS-7098f804-18
0.226
GAB-REV-df64cf17-20
0.226
JOR-UNI-61e7b1d5-6
0.225
JOR-UNI-61e7b1d5-29
0.225
PET-SGC-0f1d26ed-2
0.225
MAK-UNK-30aad1f1-9
0.225
MAK-UNK-516d8086-32
0.225
MED-COV-4280ac29-34
0.224
CHR-SOS-363cfb78-1
0.224
JAN-GHE-fd8d85a5-4
0.224
THO-SYG-cc9e9a11-4
0.223
JOR-UNI-61e7b1d5-23
0.223
JOR-UNI-61e7b1d5-27
0.223
JOR-UNI-61e7b1d5-31
0.223
GAB-REV-df64cf17-22
0.222
MAK-UNK-7732b35b-32
0.222