Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1N(C)c1ccc(S(N)(=O)=O)cc1 |
MW: | 331.401 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 112.11 |
cLogP: | 1.80038 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-5
GAB-REV-df64cf17-11
0.500
GAB-REV-df64cf17-16
0.440
GAB-REV-df64cf17-10
0.437
GAB-REV-df64cf17-4
0.393
JOR-UNI-61e7b1d5-8
0.362
GAB-REV-df64cf17-9
0.353
BEN-DND-362d364a-6
0.351
PET-SGC-90aed325-1
0.351
JOR-UNI-61e7b1d5-15
0.350
LIZ-THE-7023c732-2
0.342
JOR-UNI-61e7b1d5-19
0.337
JOR-UNI-61e7b1d5-21
0.333
JOR-UNI-61e7b1d5-29
0.333
PET-SGC-9a4d8c0f-1
0.329
JOR-UNI-61e7b1d5-13
0.327
JAN-GHE-fd8d85a5-1
0.325
JOR-UNI-61e7b1d5-4
0.324
LIZ-THE-57c545eb-1
0.323
JAN-GHE-fd8d85a5-4
0.322
PET-SGC-6062269a-1
0.321
JOR-UNI-61e7b1d5-6
0.320
JOR-UNI-61e7b1d5-31
0.317
JOR-UNI-61e7b1d5-23
0.317
JOR-UNI-61e7b1d5-27
0.317
JAN-UNI-2e92c4b1-4
0.317
SAD-SAT-cefd50cc-10
0.315
JAN-UNI-2e92c4b1-3
0.313
PET-SGC-39d74636-2
0.313
JOR-UNI-61e7b1d5-17
0.311
JOR-UNI-61e7b1d5-25
0.311
PAU-UNI-52c0427f-1
0.310
DAR-DIA-fb20be43-4
0.310
JAN-GHE-fd8d85a5-5
0.310
BRU-LEF-ae0885ba-1
0.310
PET-SGC-34dcf0dc-1
0.310
TRY-UNI-1fd04853-2
0.303
PET-SGC-0f1d26ed-1
0.302
MAK-UNK-ec98eaf6-22
0.301
JAN-GHE-fd8d85a5-6
0.300
GAB-REV-df64cf17-1
0.300
MAK-UNK-516d8086-19
0.298
TRY-UNI-1fd04853-1
0.297
MAK-UNK-516d8086-7
0.297
GAB-REV-df64cf17-15
0.297
PET-SGC-175e168c-1
0.297
PET-SGC-f147f0b6-1
0.293
JOR-UNI-61e7b1d5-11
0.292
GAB-REV-df64cf17-18
0.290
AAR-POS-d2a4d1df-5
0.290
JOR-UNI-61e7b1d5-1
0.289
GAB-REV-df64cf17-22
0.287
THO-SYG-98fc3427-7
0.287
GAB-REV-df64cf17-21
0.286
GAB-REV-df64cf17-14
0.286
LIZ-THE-6efed59f-2
0.286
THO-SYG-98fc3427-6
0.284
LIZ-THE-6efed59f-1
0.284
NIR-THE-0d6461ce-7
0.283
JAN-UNI-2e92c4b1-5
0.282
MAR-UNI-9d4da90d-2
0.282
THO-SYG-98fc3427-5
0.280
SID-ELM-433ea7f3-1
0.277
GAB-REV-df64cf17-3
0.277
MAK-UNK-516d8086-5
0.277
MAK-UNK-516d8086-21
0.277
GAB-REV-df64cf17-12
0.274
GAB-REV-df64cf17-2
0.274
MAK-UNK-516d8086-13
0.274
THO-SYG-98fc3427-4
0.274
MAK-UNK-516d8086-3
0.271
GAB-REV-df64cf17-19
0.271
MAK-UNK-516d8086-18
0.271
GAB-REV-df64cf17-8
0.271
ANG-FNM-4baa7e20-1
0.271
NIR-THE-0d6461ce-6
0.269
GAB-REV-df64cf17-13
0.269
GAB-REV-df64cf17-6
0.268
MAK-UNK-ec98eaf6-37
0.268
MAK-UNK-ec98eaf6-15
0.266
MAK-UNK-516d8086-25
0.265
BEN-DND-362d364a-3
0.263
MAK-UNK-516d8086-9
0.263
GAB-REV-df64cf17-20
0.263
PAU-WEI-f734c343-3
0.262
MAR-TRE-a3327163-68
0.262
MAK-UNK-516d8086-20
0.260
IND-SYN-a2b2ab0e-1
0.260
IND-SYN-5e5c1c3e-2
0.260
MED-COV-4280ac29-34
0.260
MAR-TRE-87acfbcc-44
0.259
ANT-DIA-b7f58f21-8
0.256
ROB-UNI-b2e39629-1
0.256
LIZ-THE-7023c732-1
0.256
GAB-REV-df64cf17-7
0.255
WAR-XCH-b72a1bbc-34
0.253
MAK-UNK-148caf23-4
0.250
CHR-SOS-363cfb78-8
0.248
SID-ELM-433ea7f3-4
0.246
MAT-POS-7dfc56d9-1
0.243
LIZ-THE-6efed59f-3
0.242