Molecular Properties | |
SMILES: | CC(=O)NCCc1cn(CC(=O)N2CCOCC2)c2ccc(Cl)cc12 |
MW: | 363.845 |
Fraction sp3: | 0.44 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 63.57 |
cLogP: | 1.8321 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ROB-UNI-b2e39629-12
0.699
DUN-NEW-f8ce3686-13
0.654
PET-SGC-708ec5d8-1
0.378
STU-CHA-6cae54d3-1
0.364
SAN-PRS-3c4a6997-1
0.356
SAN-PRS-3c4a6997-3
0.352
TAM-UNI-d1c3dd9f-19
0.343
DAR-DIA-fb20be43-15
0.343
MAK-UNK-be5ffcbc-4
0.333
DUN-NEW-f8ce3686-8
0.327
TAM-UNI-d1c3dd9f-20
0.324
DUN-NEW-f8ce3686-6
0.315
TAM-UNI-d1c3dd9f-23
0.313
MAR-TRE-c317dd82-45
0.311
DAR-DIA-fb20be43-11
0.305
NAU-LAT-f723e322-1
0.305
STU-CHA-bc0a9883-1
0.305
JOK-SYG-302da050-1
0.305
STU-CHA-6d5cfe2b-1
0.305
LUI-IND-a1be81af-2
0.297
JOK-SYG-b9f02a42-1
0.296
JUL-TUD-06b2044f-151
0.296
MAK-UNK-10799360-12
0.295
JOH-MEM-5e386bbd-3
0.294
WIL-LEE-1f71e281-1
0.293
ROB-UNI-b2e39629-6
0.292
STU-CHA-128b80be-1
0.291
MAR-TRE-c317dd82-7
0.290
GIA-UNK-3f36037a-6
0.289
JOK-SYG-b9f02a42-3
0.288
TAM-UNI-d1c3dd9f-1
0.287
DAR-DIA-fb20be43-16
0.287
MAR-UCB-195bc32d-16
0.286
JOH-MSK-a63bdd1d-4
0.286
NIR-THE-0d6461ce-3
0.284
DAR-DIA-fb20be43-14
0.284
MAR-TRE-c317dd82-13
0.284
GIA-UNK-3f36037a-2
0.284
MAK-UNK-f983951f-21
0.284
DUN-NEW-f8ce3686-24
0.280
NAU-LAT-81109c57-6
0.280
TAM-UNI-d1c3dd9f-24
0.280
JOK-SYG-b9f02a42-2
0.279
STU-CHA-7b3b91d5-1
0.279
MED-COV-4280ac29-37
0.276
NIR-THE-0d6461ce-2
0.275
DAR-DIA-03336633-10
0.275
TAM-UNI-d1c3dd9f-21
0.275
ROB-UNI-b2e39629-9
0.272
DAR-DIA-caba39e3-5
0.271
BEN-DND-362d364a-8
0.270
ROB-UNI-b2e39629-4
0.270
ROB-UNI-b2e39629-8
0.269
MAR-TRE-6a44bbf2-34
0.268
WIL-LEE-23e8b574-2
0.267
ROB-UNI-b2e39629-5
0.267
NAU-LAT-f723e322-2
0.266
STU-CHA-128b80be-2
0.266
WIL-LEE-1f71e281-4
0.266
NAU-LAT-30527ac5-5
0.265
NAU-LAT-0543f7f2-3
0.265
MAK-UNK-10799360-31
0.264
MAK-UNK-be5ffcbc-7
0.264
MAR-TRE-7f7bb9f0-29
0.264
MAR-TRE-3159af1a-30
0.263
PAT-UNK-b2d83456-5
0.262
JOH-MSK-d60b0211-1
0.262
JAN-GHE-fd8d85a5-12
0.262
SCO-VAN-260d9628-4
0.262
JUL-TUD-06b2044f-152
0.261
JOH-MSK-ec639444-3
0.261
MAR-TRE-8190bb11-7
0.260
PAT-UNK-b2d83456-4
0.260
MAK-UNK-be5ffcbc-2
0.260
TAM-UNI-d1c3dd9f-12
0.260
DUN-NEW-f8ce3686-5
0.259
SAD-SAT-65574d3f-8
0.258
AHN-SAT-de2502ba-12
0.258
SIM-DEM-5935bd74-3
0.258
MAR-TRE-6a44bbf2-20
0.258
MAR-TRE-f5c2d31c-81
0.257
AAR-POS-d2a4d1df-2
0.255
MAR-LAB-ca4662a6-5
0.255
MAT-GIT-deadff56-2
0.255
SAM-UNK-903735bd-1
0.255
MAR-TRE-f5c2d31c-13
0.254
MAR-TRE-3159af1a-25
0.254
GAB-REV-4a4e2ff3-16
0.254
PAU-WEI-f734c343-2
0.254
GIA-UNK-3f36037a-1
0.253
MED-COV-4280ac29-6
0.253
HYO-UNK-50298ba0-1
0.253
MAR-TRE-3159af1a-94
0.252
MAR-TRE-3159af1a-97
0.252
MED-COV-4280ac29-21
0.252
MAR-TRE-3159af1a-64
0.252
MAK-UNK-be5ffcbc-9
0.250
MAK-UNK-be5ffcbc-6
0.250
DUN-NEW-f8ce3686-21
0.250
MAR-TRE-f5c2d31c-11
0.250