Molecular Properties | |
SMILES: | CC(C)n1ncc2cc(NC(=O)C3COc4ccc(Cl)cc4C3)cnc21 |
MW: | 370.12 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 3.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-26 |
MAR-TRE-3e4e6814-89
0.528
NAU-LAT-8502cac5-3
0.489
UNK-UNK-2ede4078-26
0.469
EDJ-MED-e4b030d8-12
0.465
MAT-POS-8e4737f4-2
0.465
UNK-UNK-2ede4078-27
0.461
UNK-UNK-2ede4078-100
0.441
UNK-UNK-2ede4078-25
0.427
KRI-MAR-d2e3ef86-19
0.427
MAR-TRE-67513f76-78
0.406
UNK-UNK-2ede4078-65
0.383
MAR-TRE-2fd8122f-59
0.382
UNK-UNK-2ede4078-73
0.380
MAR-TRE-b77b7921-67
0.373
MAR-TRE-4b834d9a-90
0.364
JAG-UCB-c61058a9-5
0.364
UNK-UNK-2ede4078-5
0.349
JAG-UCB-c61058a9-4
0.336
NAU-LAT-8502cac5-16
0.321
AMY-UNI-96aa4547-1
0.317
AMY-UNI-cb2a69e8-1
0.307
KRI-MAR-d2e3ef86-21
0.303
AMY-UNI-82e4a3e2-1
0.291
MAR-TRE-4f781e27-10
0.287
JAG-UCB-c61058a9-13
0.282
JAG-UCB-c61058a9-14
0.280
JAG-UCB-c61058a9-8
0.273
JAG-UCB-c61058a9-29
0.273
AMY-UNI-8c1f2a42-1
0.273
EDJ-MED-e4b030d8-11
0.267
ADA-UCB-dc2b944c-14
0.267
ADA-UCB-dc2b944c-13
0.267
MAT-POS-8a69d52e-4
0.267
MAT-POS-8a69d52e-6
0.267
BRU-THA-01b12488-1
0.267
MAT-POS-8a69d52e-5
0.267
MAT-POS-8a69d52e-7
0.267
MAR-UCB-fd2e172f-20
0.267
EDG-MED-fe7487f8-2
0.265
EDG-MED-4b32601a-1
0.265
JAG-UCB-c61058a9-42
0.264
JAG-UCB-c61058a9-23
0.264
AMY-UNI-fde3583d-1
0.264
EDG-MED-fe7487f8-9
0.261
JAG-UCB-c61058a9-1
0.261
JAG-UCB-47403a7c-1
0.261
RAL-THA-b74298ba-3
0.261
MIC-UNK-8686cf1d-1
0.261
ALF-EVA-a24cc7ce-4
0.261
MAK-UNK-919546f0-6
0.257
JAG-UCB-c61058a9-18
0.257
PET-UNK-158bee2a-7
0.257
MIC-UNK-deda7a44-5
0.257
NAU-LAT-8502cac5-2
0.257
MAT-POS-1f3c8e6f-1
0.257
RAL-THA-3d7a794f-2
0.254
MAR-UCB-6ab2ec87-5
0.254
ALF-EVA-a24cc7ce-1
0.252
ALF-EVA-a24cc7ce-8
0.252
MAT-POS-a2421bb6-4
0.252
PET-UNK-e274cad4-2
0.252
MIC-UNK-f792ef5d-1
0.252
ALP-POS-5de921e7-5
0.250
JAG-UCB-c61058a9-3
0.250
ERI-UCB-b3e6b0c2-7
0.248
ERI-UCB-b3e6b0c2-15
0.248
ERI-UCB-8d4e5055-3
0.248
MAT-POS-7ddaf7de-2
0.248
JOH-UNI-1b27fa5e-5
0.248
MAT-POS-bbbbc21a-2
0.248
EDJ-MED-12c115cc-1
0.248
EDJ-MED-12c115cc-2
0.248
JUL-TUD-06b2044f-11
0.248
MAT-POS-f7918075-2
0.248
MAR-TRE-3e4e6814-9
0.246
PET-UNK-c761fc18-1
0.246
MAR-UCB-fd2e172f-19
0.246
BEN-DND-a7517465-3
0.246
LON-WEI-0a73fcb8-6
0.246
MIC-UNK-f2576da4-1
0.245
ALP-POS-6495d03e-6
0.244
TET-ENA-382364b7-1
0.244
JOH-UNI-1b27fa5e-6
0.243
PET-UNK-158bee2a-11
0.243
JAG-UCB-c61058a9-27
0.243
RAL-THA-b74298ba-1
0.243
RAL-THA-b9d6aec1-1
0.242
JAN-GHE-299e5c7e-5
0.242
BEN-BAS-5c03e89e-1
0.242
JAN-GHE-299e5c7e-4
0.242
NAU-LAT-8502cac5-6
0.241
JAN-GHE-f4ca5a00-4
0.241
JOH-UNI-9ad7e798-1
0.241
ERI-UCB-9c7ec71b-1
0.241
JUL-TUD-06b2044f-10
0.241
EDJ-MED-1b46f08e-1
0.240
MAT-POS-1ecf5680-1
0.240
MAK-UNK-8be7dca9-3
0.240
DAR-DIA-0d514e7d-28
0.240
MAR-UCB-fd2e172f-16
0.240