Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c1cc(Cl)c1cc(CCCC(=N)N)sc12 |
MW: | 376.913 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 4 |
Rotatable Bonds: | 7 |
TPSA: | 94.76 |
cLogP: | 3.97327 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
imine
acyclic C=N-H
Imine 3
SAN-PRS-3c4a6997-1
0.393
ROB-UNI-b2e39629-4
0.385
BEN-DND-362d364a-8
0.385
ROB-UNI-b2e39629-6
0.382
ASH-UNK-40b46b30-5
0.375
HAN-NEW-5f56c3bc-2
0.374
MAK-UNK-be5ffcbc-9
0.368
JOK-SYG-b7365cd7-1
0.362
ROB-UNI-b2e39629-7
0.355
ELE-IMP-dfb36048-1
0.355
PET-SGC-f818f65b-1
0.355
TAM-UNI-c140e31a-15
0.355
SAM-UNK-903735bd-2
0.355
SIM-DEM-265738e1-1
0.355
TAM-UNI-c140e31a-16
0.354
MAR-UCB-195bc32d-16
0.349
JOH-MSK-a63bdd1d-4
0.349
DUN-NEW-f8ce3686-12
0.348
JOH-MEM-4bb7e4cc-1
0.348
MAT-GIT-deadff56-1
0.348
AAR-POS-d2a4d1df-2
0.345
WIL-LEE-1f71e281-6
0.344
GAB-REV-4a4e2ff3-19
0.343
NIR-THE-0d6461ce-2
0.340
ALE-ACE-2610ee4d-1
0.337
MAR-UCB-195bc32d-21
0.337
JOH-MSK-35a8745a-1
0.337
MAK-UNK-be5ffcbc-4
0.337
NIR-THE-0d6461ce-3
0.337
DUN-NEW-f8ce3686-10
0.333
ELE-IMP-dfb36048-2
0.333
CAL-AMP-9edebd8f-1
0.333
DUN-NEW-f8ce3686-21
0.333
NAU-LAT-30527ac5-4
0.333
DAR-DIA-fb20be43-15
0.333
GAB-REV-4a4e2ff3-6
0.330
MAK-UNK-be5ffcbc-6
0.330
SAN-PRS-3c4a6997-2
0.329
JOH-MSK-d60b0211-1
0.327
PAT-UNK-b2d83456-5
0.327
NAU-LAT-81109c57-5
0.327
MAK-UNK-be5ffcbc-2
0.327
GAB-REV-4a4e2ff3-14
0.327
ASH-UNK-40b46b30-7
0.324
JOK-SYG-b9f02a42-1
0.324
GAB-REV-4a4e2ff3-8
0.324
GAB-REV-4a4e2ff3-3
0.321
GAB-REV-4a4e2ff3-15
0.321
JOK-SYG-302da050-1
0.320
STU-CHA-bc0a9883-1
0.320
NAU-LAT-81109c57-6
0.320
NAU-LAT-f723e322-1
0.320
DAR-DIA-fb20be43-11
0.320
MAK-UNK-be5ffcbc-5
0.320
LON-WEI-af038623-6
0.320
SAM-UNK-903735bd-1
0.320
JOH-MSK-a63bdd1d-5
0.319
JOH-MSK-a63bdd1d-1
0.319
GAB-REV-4a4e2ff3-11
0.315
NAU-LAT-30527ac5-5
0.315
NAU-LAT-0543f7f2-3
0.315
GAB-REV-4a4e2ff3-21
0.314
GAB-REV-4a4e2ff3-18
0.312
DAR-DIA-fb20be43-14
0.311
TAM-UNI-c140e31a-2
0.311
NAU-LAT-81109c57-3
0.311
MAK-UNK-ec98eaf6-33
0.308
FRA-DIA-8640f307-3
0.307
JOK-SYG-b9f02a42-2
0.306
NAU-LAT-f723e322-2
0.305
GAB-REV-4a4e2ff3-2
0.304
JOK-SYG-b9f02a42-3
0.303
GAB-REV-4a4e2ff3-5
0.303
GAB-REV-4a4e2ff3-16
0.301
NAU-LAT-30527ac5-6
0.301
GAB-REV-4a4e2ff3-20
0.301
PAT-UNK-b2d83456-4
0.300
TAM-UNI-c140e31a-3
0.300
JOH-MSK-a63bdd1d-6
0.299
JOH-MSK-a63bdd1d-2
0.299
WIL-LEE-364b6ea8-13
0.299
JOH-MSK-2d8052dc-1
0.298
GAB-REV-4a4e2ff3-7
0.298
MAK-UNK-ec98eaf6-34
0.297
DAR-DIA-caba39e3-5
0.296
SHR-UNK-cde60afe-1
0.296
GAB-REV-4a4e2ff3-17
0.296
DUN-NEW-f8ce3686-24
0.295
GAB-REV-4a4e2ff3-1
0.295
FRA-DIA-8640f307-2
0.295
DUN-NEW-f8ce3686-11
0.294
MAR-TRE-c317dd82-56
0.294
GAB-REV-4a4e2ff3-13
0.294
WAR-XCH-e55cba98-3
0.292
GAB-REV-4a4e2ff3-9
0.292
FRA-DIA-8640f307-1
0.291
MAK-UNK-ec98eaf6-47
0.291
PET-SGC-1c3a473d-1
0.291
GAB-REV-4a4e2ff3-12
0.291
WAR-XCH-e55cba98-2
0.289