Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(-c3ncoc3C)cc(C#N)c(Cl)c12 |
MW: | 342.786 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 94.71 |
cLogP: | 3.335 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAT-GIT-deadff56-4
0.588
MAT-GIT-deadff56-2
0.435
DUN-NEW-f8ce3686-12
0.348
MAT-GIT-deadff56-1
0.348
JOH-MEM-4bb7e4cc-1
0.348
GAB-REV-4a4e2ff3-13
0.330
ROB-UNI-b2e39629-7
0.326
SAN-PRS-3c4a6997-1
0.315
JOH-MSK-d60b0211-1
0.314
PAT-UNK-b2d83456-5
0.314
ROB-UNI-b2e39629-6
0.309
JOH-MEM-5e386bbd-8
0.301
BEN-DND-362d364a-8
0.299
ROB-UNI-b2e39629-4
0.299
ASH-UNK-40b46b30-5
0.294
MAK-UNK-be5ffcbc-9
0.293
DUN-NEW-f8ce3686-21
0.292
MAR-UCB-195bc32d-16
0.289
JOH-MSK-a63bdd1d-4
0.289
HAN-NEW-5f56c3bc-2
0.289
GAB-REV-4a4e2ff3-21
0.288
NAU-LAT-81109c57-5
0.288
JOH-MSK-2d8052dc-1
0.287
AAR-POS-d2a4d1df-2
0.286
TAM-UNI-c140e31a-2
0.286
SAN-PRS-3c4a6997-2
0.284
MAK-UNK-be5ffcbc-5
0.283
DAR-DIA-fb20be43-15
0.283
JOH-CHE-3504ac3d-2
0.283
GAB-REV-4a4e2ff3-19
0.282
MAR-TRE-c317dd82-56
0.282
NAU-LAT-f723e322-2
0.280
JOK-SYG-b7365cd7-1
0.280
MAR-UCB-195bc32d-21
0.280
JOH-MSK-35a8745a-1
0.280
ALE-ACE-2610ee4d-1
0.280
NAU-LAT-0543f7f2-3
0.279
NAU-LAT-30527ac5-5
0.279
GAB-REV-4a4e2ff3-5
0.279
MAK-UNK-be5ffcbc-6
0.277
JOH-MSK-a63bdd1d-1
0.277
WIL-LEE-1f71e281-6
0.276
JOK-SYG-b9f02a42-1
0.275
JOH-MSK-a63bdd1d-6
0.275
NIR-THE-0d6461ce-3
0.275
GAB-REV-4a4e2ff3-8
0.274
DAR-DIA-caba39e3-5
0.274
MAK-UNK-ec98eaf6-33
0.273
SIM-DEM-265738e1-1
0.273
PET-SGC-f818f65b-1
0.273
TAM-UNI-c140e31a-15
0.273
ELE-IMP-dfb36048-1
0.273
SAM-UNK-903735bd-2
0.273
MAK-UNK-be5ffcbc-4
0.272
SCO-VAN-260d9628-5
0.272
JOK-SYG-302da050-1
0.271
STU-CHA-bc0a9883-1
0.271
NAU-LAT-f723e322-1
0.271
DAR-DIA-fb20be43-11
0.271
NAU-LAT-81109c57-6
0.271
GAB-REV-4a4e2ff3-2
0.270
SAM-UNK-903735bd-1
0.269
PET-SGC-708ec5d8-1
0.268
PET-SGC-1c3a473d-1
0.268
NIR-THE-0d6461ce-2
0.266
DUN-NEW-f8ce3686-10
0.265
CAL-AMP-9edebd8f-1
0.265
ELE-IMP-dfb36048-2
0.265
JOH-MSK-a63bdd1d-5
0.265
JAN-GHE-fd8d85a5-11
0.265
FRA-DIA-8640f307-2
0.265
GAB-REV-4a4e2ff3-7
0.265
ANT-OPE-81f9835f-1
0.264
ASH-UNK-40b46b30-7
0.264
DAR-DIA-fb20be43-14
0.264
NAU-LAT-81109c57-7
0.263
HAN-NEW-5f56c3bc-4
0.263
DAR-DIA-caba39e3-6
0.263
MAK-UNK-be5ffcbc-2
0.262
SAM-UNI-7fd13e32-1
0.262
GAB-REV-4a4e2ff3-14
0.262
GAB-REV-4a4e2ff3-3
0.261
GAB-REV-4a4e2ff3-15
0.261
WIL-LEE-364b6ea8-13
0.260
JOH-MSK-a63bdd1d-2
0.260
ROB-UNI-b2e39629-10
0.260
DUN-NEW-f8ce3686-24
0.259
JOK-SYG-b9f02a42-2
0.259
GAB-REV-4a4e2ff3-4
0.259
GAB-REV-4a4e2ff3-9
0.259
GAB-REV-4a4e2ff3-11
0.259
DUN-NEW-f8ce3686-11
0.257
LON-WEI-af038623-6
0.257
JOK-SYG-b9f02a42-3
0.257
MAK-UNK-ec98eaf6-47
0.257
WAR-XCH-e55cba98-2
0.256
NIR-THE-c331be7a-3
0.256
DAR-DIA-caba39e3-4
0.256
GAB-REV-4a4e2ff3-6
0.255
MED-COV-4280ac29-21
0.254