Molecular Properties | |
SMILES: | CC(=O)NCCc1c2cc(Cl)cc(C(CN(Cc3cc(C)on3)C(=O)NC3CC3)c3nnc(C)s3)c2[nH]c1 |
MW: | 555.18 |
Fraction sp3: | 0.42 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 10 |
TPSA: | 129.04 |
cLogP: | 4.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
FRA-DIA-8640f307-1
0.830
FRA-DIA-8640f307-2
0.807
ROB-UNI-b2e39629-6
0.404
JOK-SYG-b7365cd7-1
0.339
ASH-UNK-40b46b30-5
0.339
MAK-UNK-be5ffcbc-5
0.339
ROB-UNI-b2e39629-4
0.333
BEN-DND-362d364a-8
0.333
DAR-DIA-fb20be43-15
0.328
SAN-PRS-3c4a6997-1
0.324
ROB-UNI-b2e39629-7
0.322
TAM-UNI-c140e31a-22
0.319
IFT-SAT-023cfffe-2
0.318
GAB-REV-4a4e2ff3-19
0.315
AAR-POS-d2a4d1df-9
0.315
TRY-UNI-9f475305-7
0.315
NAU-LAT-30527ac5-5
0.313
NAU-LAT-0543f7f2-3
0.313
NIR-THE-0d6461ce-2
0.312
TRY-UNI-9f475305-8
0.312
FRA-DIA-3f9ae552-3
0.312
NIR-THE-0d6461ce-3
0.310
JOH-CHE-3504ac3d-2
0.307
MAK-UNK-be5ffcbc-9
0.307
DAR-DIA-caba39e3-5
0.307
SAM-UNK-903735bd-1
0.306
MAR-TRE-be9ff7d2-39
0.303
WIL-LEE-1f71e281-6
0.303
MAK-UNK-be5ffcbc-2
0.301
NAU-LAT-30527ac5-4
0.299
FRA-DIA-3f9ae552-2
0.299
MAK-UNK-ec98eaf6-33
0.298
FRA-DIA-3f9ae552-1
0.297
NAU-LAT-81109c57-6
0.297
JOK-SYG-b9f02a42-2
0.295
JOK-SYG-b9f02a42-3
0.293
NAU-LAT-81109c57-5
0.291
TAM-UNI-c140e31a-3
0.291
MAK-UNK-10799360-31
0.291
ASH-UNK-40b46b30-7
0.290
PAU-WEI-f734c343-1
0.290
MAK-UNK-be5ffcbc-4
0.288
PAU-WEI-b9b69149-7
0.288
DAR-DIA-fb20be43-11
0.287
JOK-SYG-302da050-1
0.287
NAU-LAT-f723e322-1
0.287
STU-CHA-bc0a9883-1
0.287
WAR-XCH-e55cba98-5
0.286
WAR-XCH-e55cba98-3
0.285
GAB-REV-4a4e2ff3-9
0.285
TRY-UNI-9f475305-6
0.285
PAU-WEI-b9b69149-8
0.284
MAK-UNK-be5ffcbc-6
0.282
JOH-MSK-a63bdd1d-1
0.282
NIR-THE-c331be7a-3
0.282
PAT-UNK-b2d83456-5
0.281
JOH-MSK-d60b0211-1
0.281
HAN-NEW-5f56c3bc-2
0.281
JOK-SYG-b9f02a42-1
0.280
DAR-DIA-fb20be43-14
0.280
MAK-UNK-ec98eaf6-34
0.279
SIM-DEM-265738e1-1
0.279
TAM-UNI-c140e31a-15
0.279
ELE-IMP-dfb36048-1
0.279
PET-SGC-f818f65b-1
0.279
SAM-UNK-903735bd-2
0.279
DAR-DIA-37454fd7-1
0.278
PAU-WEI-b9b69149-9
0.276
LON-WEI-af038623-6
0.276
GAB-REV-4a4e2ff3-2
0.275
NAU-LAT-30527ac5-6
0.273
MED-COV-4280ac29-21
0.272
GAB-REV-4a4e2ff3-7
0.271
JOH-MEM-4bb7e4cc-1
0.271
DUN-NEW-f8ce3686-12
0.271
MAT-GIT-deadff56-1
0.271
JOH-MSK-a63bdd1d-6
0.271
NAU-LAT-81109c57-7
0.270
JOH-MSK-a63bdd1d-4
0.270
MAR-UCB-195bc32d-16
0.270
HAN-NEW-5f56c3bc-4
0.270
GAB-REV-4a4e2ff3-17
0.270
DAR-DIA-caba39e3-6
0.270
TAM-UNI-c140e31a-2
0.269
NAU-LAT-81109c57-3
0.269
PET-SGC-210d4c30-1
0.269
IFT-SAT-023cfffe-5
0.268
AAR-POS-d2a4d1df-2
0.267
MAK-UNK-ec98eaf6-8
0.266
DUN-NEW-f8ce3686-11
0.266
MAR-TRE-c317dd82-56
0.266
MAK-UNK-ec98eaf6-54
0.265
ALI-DIA-59c2fdb0-6
0.265
NAU-LAT-f723e322-2
0.265
DAR-DIA-37454fd7-3
0.265
GAB-REV-4a4e2ff3-5
0.265
PET-SGC-1c3a473d-1
0.265
WAR-XCH-e55cba98-2
0.264
SIM-SYN-7db9eb24-2
0.264
MAK-UNK-ec98eaf6-55
0.264