Molecular Properties | |
SMILES: | CCOc1cc(-c2cnccc2C)cn(-c2cc(Cl)cc(N3CCCC3=O)c2)c1=O |
MW: | 423.9 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 64.43 |
cLogP: | 4.38682 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
BEN-VAN-5787f7d3-6
0.615
BEN-VAN-5787f7d3-9
0.547
BEN-VAN-5787f7d3-12
0.434
BEN-VAN-5787f7d3-10
0.431
BEN-VAN-5787f7d3-11
0.383
BEN-VAN-5787f7d3-8
0.314
ADA-UCB-6c2cb422-6
0.308
BEN-VAN-5787f7d3-1
0.289
BEN-VAN-5787f7d3-14
0.285
ADA-UCB-6c2cb422-5
0.282
PET-UNK-5eca9d1d-3
0.274
EDJ-MED-e66f2cc5-2
0.267
MAK-UNK-7a704a63-7
0.263
MAK-UNK-c8c8f7e2-12
0.263
MAK-UNK-7a704a63-23
0.260
WAR-XCH-b72a1bbc-4
0.258
JAG-UCB-cedd89ab-1
0.257
VLA-UNK-792b5d03-1
0.256
MAK-UNK-c8c8f7e2-1
0.255
MAK-UNK-c8c8f7e2-4
0.253
BEN-VAN-5787f7d3-13
0.252
DAR-DIA-d6e5861b-6
0.252
DAR-DIA-d6e5861b-8
0.252
BEN-DND-22e6b372-4
0.250
MAK-UNK-c8c8f7e2-33
0.250
EDJ-MED-49816e9b-6
0.250
MAR-TRE-7f7bb9f0-31
0.250
JAN-GHE-83b26c96-24
0.250
MAR-TRE-2fd8122f-39
0.250
BEN-VAN-5787f7d3-4
0.248
DAR-DIA-d6e5861b-10
0.246
BEN-VAN-5787f7d3-5
0.246
PET-UNK-94460c07-4
0.246
JAN-GHE-83b26c96-25
0.245
MAK-UNK-7a704a63-9
0.245
MAK-UNK-c8c8f7e2-31
0.245
MAK-UNK-7a704a63-24
0.245
DAR-DIA-d6e5861b-7
0.244
DAR-DIA-d6e5861b-5
0.244
BAR-COM-ebf5acce-5
0.244
JAN-GHE-83b26c96-8
0.243
MAK-UNK-c8c8f7e2-6
0.243
VLA-UNK-792b5d03-3
0.243
MAK-UNK-c8c8f7e2-40
0.242
MAK-UNK-7a704a63-17
0.242
MAK-UNK-9159f8ed-7
0.241
MAK-UNK-c8c8f7e2-17
0.240
MAK-UNK-c8c8f7e2-5
0.240
MAK-UNK-7a704a63-6
0.240
MAK-UNK-c8c8f7e2-39
0.240
MAK-UNK-7a704a63-18
0.240
MAK-UNK-7a704a63-16
0.240
MAK-UNK-c8c8f7e2-41
0.240
MAK-UNK-c8c8f7e2-11
0.240
VLA-UNK-792b5d03-2
0.239
MAK-UNK-c8c8f7e2-7
0.238
MAK-UNK-c8c8f7e2-18
0.238
VLA-UNK-792b5d03-4
0.237
AAR-UNI-c25c2f1e-61
0.237
MAK-UNK-1e8f9e3c-3
0.237
PET-UNK-94460c07-3
0.236
JOH-UNI-a38a7bdd-7
0.235
WIL-UNI-2e73223c-4
0.235
MAR-TRE-799db12b-49
0.235
DAR-DIA-5a24bef0-16
0.235
DAR-DIA-5a24bef0-14
0.235
DAR-DIA-5a24bef0-15
0.235
EDJ-MED-e66f2cc5-1
0.234
MAT-POS-136e7878-2
0.234
BEN-DND-22e6b372-3
0.234
AGN-NEW-63f62ae9-1
0.233
MAK-UNK-10dfa458-23
0.233
MAK-UNK-7a704a63-10
0.233
LON-WEI-8f408cad-1
0.233
AAR-POS-0daf6b7e-11
0.233
MAK-UNK-1e8f9e3c-6
0.233
MAK-UNK-6435e6c2-4
0.232
PET-UNK-7a31b064-4
0.231
WIL-MOD-03b86a88-5
0.230
PET-UNK-5eca9d1d-1
0.230
MAK-UNK-7a704a63-5
0.230
MAK-UNK-c8c8f7e2-10
0.230
MAK-UNK-c8c8f7e2-20
0.230
MAK-UNK-7a704a63-20
0.230
MAT-POS-f42f3716-2
0.230
NAU-LAT-3f5f3993-8
0.229
MAR-TRE-7f7bb9f0-54
0.229
DAR-DIA-53551c05-7
0.229
MAK-UNK-1e8f9e3c-2
0.229
MAR-TRE-67513f76-4
0.229
MAK-UNK-c8c8f7e2-32
0.229
DAR-DIA-53551c05-4
0.229
MAK-UNK-c8c8f7e2-8
0.229
DAR-DIA-5d6f1b43-33
0.228
MAR-TRE-799db12b-69
0.228
MAK-UNK-c8c8f7e2-2
0.228
MAK-UNK-7a704a63-11
0.228
ADA-UCB-6c2cb422-7
0.228
MAT-POS-c9973a83-1
0.227
VLA-UCB-00f2c2b3-5
0.227