Molecular Properties | |
SMILES: | COc1cc(Cl)cc(OC(=O)Nc2nncn2C2CC2)c1 |
MW: | 308.07 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 78.27 |
cLogP: | 2.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
carbamate include di-substitued N
Phenylester
AGN-NEW-891393a6-1
0.447
MAT-POS-e478a234-1
0.443
JAN-GHE-299e5c7e-3
0.439
MAT-POS-0d6fb2dd-1
0.436
MAT-POS-6c3d76b3-1
0.436
BRU-CON-67e07230-1
0.420
JAG-UCB-c61058a9-40
0.406
ALP-POS-beec22ab-1
0.406
ADA-UCB-b1b30a00-10
0.406
BAR-COM-df4db19c-1
0.406
NAU-LAT-e1818702-1
0.405
JAN-GHE-f4ca5a00-12
0.405
NAU-LAT-e1818702-4
0.402
JAG-UCB-a3ef7265-20
0.402
JAG-UCB-119787ef-1
0.402
MAT-POS-968e8d9c-1
0.402
RAL-THA-5ed3c24e-3
0.402
BAR-COM-ace1b61b-2
0.394
JAN-GHE-f4ca5a00-7
0.393
EDG-MED-fe7487f8-4
0.391
EDG-MED-fe7487f8-10
0.391
RAL-THA-5ed3c24e-1
0.391
BAR-COM-ace1b61b-3
0.389
JAG-UCB-c61058a9-38
0.389
MIK-NEW-7f99bfc4-1
0.389
RAL-THA-f8a0f917-3
0.389
NAU-LAT-e1818702-2
0.386
NAU-LAT-e1818702-3
0.386
JAG-UCB-c61058a9-31
0.385
MIC-UNK-deda7a44-5
0.384
NAU-LAT-8502cac5-2
0.384
JAG-UCB-c61058a9-18
0.384
BAR-COM-ace1b61b-4
0.383
BAR-COM-ace1b61b-1
0.380
JAN-GHE-f4ca5a00-8
0.379
NAU-LAT-e1818702-5
0.379
EDG-MED-fe7487f8-3
0.378
RAL-THA-5ed3c24e-2
0.378
JAG-UCB-c61058a9-39
0.378
JAG-UCB-c61058a9-35
0.376
JAN-GHE-f4ca5a00-11
0.375
JAN-GHE-f4ca5a00-4
0.375
JOH-UNI-9ad7e798-1
0.375
ERI-UCB-9c7ec71b-1
0.375
EDG-MED-fe7487f8-11
0.374
EDG-MED-fe7487f8-2
0.374
EDG-MED-4b32601a-1
0.374
NAU-LAT-e1818702-6
0.372
JAG-UCB-c61058a9-37
0.371
NAU-LAT-8502cac5-3
0.371
BRU-THA-a358fbdd-3
0.371
EDG-MED-a20b5824-1
0.371
JAG-UCB-c61058a9-8
0.371
JAG-UCB-c61058a9-17
0.371
EDG-MED-fe7487f8-5
0.370
NAU-LAT-8502cac5-4
0.366
ERI-UCB-9c7ec71b-4
0.363
RAL-THA-6ca1b233-2
0.363
JAG-UCB-c61058a9-34
0.360
EDG-MED-fe7487f8-6
0.359
MIK-NEW-9ae4bfeb-1
0.359
BRU-THA-a358fbdd-4
0.359
EDJ-MED-fb79a796-1
0.357
EDJ-MED-fb79a796-2
0.357
NAU-LAT-8502cac5-8
0.356
EDJ-MED-0e996074-1
0.356
EDJ-MED-2c295496-1
0.356
RAL-THA-6ca1b233-3
0.356
JAG-UCB-c61058a9-19
0.352
JAN-GHE-299e5c7e-1
0.351
JAN-GHE-299e5c7e-4
0.351
JAN-GHE-299e5c7e-5
0.351
JAG-UCB-a3ef7265-19
0.349
ANT-OPE-7b52af4b-1
0.349
RAL-THA-f8a0f917-2
0.348
RAL-THA-6ca1b233-1
0.348
NAU-LAT-8502cac5-5
0.344
BRU-THA-a358fbdd-5
0.344
EDG-MED-4b32601a-2
0.344
ANT-OPE-3d7cb11b-3
0.344
EDG-MED-fe7487f8-1
0.344
RAL-THA-6ca1b233-4
0.344
JAG-UCB-c61058a9-12
0.344
JOH-UNI-766085ab-1
0.344
ANT-OPE-bf404da3-1
0.341
BRU-THA-a358fbdd-7
0.341
JAG-UCB-c61058a9-15
0.341
RAL-THA-f8a0f917-1
0.341
ADA-UCB-b1b30a00-7
0.340
ROB-UNI-569bc02e-1
0.340
JOH-UNI-04a01eac-1
0.337
ADA-UCB-b1b30a00-9
0.333
EDG-MED-fe7487f8-7
0.333
EDG-MED-fe7487f8-8
0.333
ANT-OPE-06da2058-1
0.330
MIC-UNK-4ce148f7-2
0.324
MIC-UNK-4ce148f7-3
0.324
ERI-UCB-a38d41be-1
0.323
JAN-GHE-299e5c7e-2
0.320
JOH-UNI-d0d90dc1-3
0.319