Molecular Properties | |
SMILES: | CCn1cncc1NC(=O)C1c2cc(Cl)cc(Cl)c2OCC1C |
MW: | 353.07 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 56.15 |
cLogP: | 3.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
RAL-THA-3d7a794f-3
0.432
JUL-TUD-06b2044f-6
0.408
JUL-TUD-06b2044f-4
0.398
JUL-TUD-06b2044f-8
0.381
DAR-DIA-0d514e7d-1
0.368
DAR-DIA-0d514e7d-2
0.368
DAR-DIA-0d514e7d-18
0.367
DAR-DIA-0d514e7d-9
0.364
DAR-DIA-0d514e7d-19
0.364
DAR-DIA-0d514e7d-7
0.361
DAR-DIA-0d514e7d-6
0.361
DAR-DIA-0d514e7d-24
0.358
DAR-DIA-0d514e7d-12
0.357
DAR-DIA-0d514e7d-13
0.355
DAR-DIA-0d514e7d-23
0.355
DAR-DIA-0d514e7d-22
0.354
DAR-DIA-0d514e7d-4
0.348
DAR-DIA-0d514e7d-5
0.348
DAR-DIA-0d514e7d-10
0.348
DAR-DIA-0d514e7d-17
0.342
DAR-DIA-0d514e7d-20
0.342
DAR-DIA-0d514e7d-14
0.342
DAR-DIA-0d514e7d-15
0.342
JUL-TUD-06b2044f-103
0.340
DAR-DIA-0d514e7d-21
0.339
JUL-TUD-06b2044f-7
0.337
DAR-DIA-0d514e7d-16
0.336
JUL-TUD-06b2044f-102
0.321
JUL-TUD-06b2044f-87
0.317
MAT-POS-8a69d52e-5
0.296
ADA-UCB-dc2b944c-14
0.296
EDJ-MED-e4b030d8-11
0.296
ADA-UCB-dc2b944c-13
0.296
BRU-THA-01b12488-1
0.296
MAT-POS-8a69d52e-6
0.296
MAT-POS-8a69d52e-7
0.296
MAT-POS-8a69d52e-4
0.296
EDG-MED-fe7487f8-2
0.295
EDG-MED-4b32601a-1
0.295
ALP-UNI-3735e77e-2
0.275
RAL-THA-05e671eb-16
0.275
RAL-THA-3d7a794f-4
0.272
RAL-THA-9041a04d-6
0.264
RAL-THA-3d7a794f-2
0.259
RAL-THA-b74298ba-2
0.259
JAG-UCB-c61058a9-4
0.259
ALF-EVA-5b152d2f-6
0.254
JAG-UCB-c61058a9-38
0.254
RAL-THA-3d7a794f-1
0.252
PET-UNK-3e029fdc-1
0.252
ROB-UNI-8bf7c232-1
0.250
RAL-THA-9041a04d-3
0.250
MAR-UCB-6ab2ec87-4
0.248
DAR-DIA-0d514e7d-8
0.246
DAR-DIA-0d514e7d-11
0.246
JUL-TUD-06b2044f-49
0.245
JUL-TUD-06b2044f-88
0.243
MAT-POS-f39f51fd-1
0.241
DAR-DIA-9f765dc6-2
0.241
DAR-DIA-9f765dc6-6
0.241
RAL-THA-9041a04d-5
0.241
DAR-DIA-9f765dc6-5
0.241
RAL-THA-04c5403f-1
0.241
BEN-DND-1e24cf73-4
0.241
BEN-DND-a7517465-6
0.239
JAN-GHE-f4ca5a00-21
0.239
EDJ-MED-e4b030d8-6
0.237
EDJ-MED-dd2a8363-1
0.237
MAT-POS-a54ce14d-1
0.237
RAL-THA-9041a04d-4
0.237
JAG-UCB-a3ef7265-3
0.236
JAN-GHE-299e5c7e-4
0.235
JUL-TUD-06b2044f-10
0.234
RAL-THA-9041a04d-2
0.233
RAL-THA-9041a04d-7
0.233
BAR-COM-ace1b61b-3
0.233
RAL-THA-8416115c-3
0.233
EDG-MED-ee636701-4
0.233
DAR-DIA-23e5a6a0-11
0.232
PET-UNK-8df914d1-4
0.232
DAR-DIA-9f765dc6-10
0.231
DAR-DIA-9f765dc6-12
0.231
DAR-DIA-9f765dc6-11
0.231
RAL-THA-9041a04d-1
0.231
MIC-UNK-ea979c74-3
0.231
DAR-DIA-23e5a6a0-14
0.230
PET-UNK-8df914d1-5
0.230
FRA-DIA-0fa076fe-2
0.229
MIC-UNK-ea979c74-1
0.229
EDJ-MED-dd2a8363-2
0.228
DAR-DIA-23e5a6a0-15
0.228
WIL-MOD-03b86a88-4
0.227
JAG-UCB-c61058a9-40
0.227
ALP-POS-beec22ab-1
0.227
EDG-MED-ee636701-3
0.227
ADA-UCB-b1b30a00-10
0.227
NAU-LAT-b7d8c353-6
0.227
BAR-COM-df4db19c-1
0.227
JUL-TUD-06b2044f-50
0.226
BEN-DND-1e24cf73-2
0.226