Molecular Properties | |
SMILES: | Cc1ccc(OCC(=O)N2CC3C(CC(=O)Nc4cccnc4)C(C2)N3C)cc1 |
MW: | 394.2 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 74.77 |
cLogP: | 1.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
THO-SYG-f9b2970d-2
0.411
AAR-POS-d2a4d1df-6
0.402
MED-UNK-e6e8ef8a-5
0.400
MED-UNK-e6e8ef8a-3
0.395
KEI-TRE-d5e2018a-14
0.383
DAR-DIA-842b4336-16
0.379
THO-SYG-f9b2970d-1
0.374
FRA-FAC-9ed5a63a-1
0.372
AAR-POS-d2a4d1df-13
0.372
ALE-HEI-f28a35b5-9
0.372
MED-UNK-e6e8ef8a-4
0.371
PET-SGC-fedd1f79-1
0.370
FRA-FAC-9ed5a63a-2
0.364
MED-UNK-e6e8ef8a-2
0.364
KEI-TRE-d5e2018a-88
0.363
MAR-TRE-74c6519b-56
0.363
THO-SYG-f9b2970d-6
0.362
JOH-IMS-62aeb97d-5
0.359
MAR-TRE-7f7bb9f0-90
0.359
MAR-TRE-7f7bb9f0-72
0.356
KEI-TRE-d5e2018a-67
0.356
MAR-TRE-9c797165-52
0.355
MAR-TRE-d0525fbf-84
0.352
DAR-DIA-842b4336-11
0.352
MAR-TRE-67513f76-81
0.351
MAR-TRE-7f7bb9f0-58
0.350
MAR-TRE-7f7bb9f0-53
0.350
MAR-TRE-67513f76-73
0.348
MAR-TRE-74c6519b-54
0.347
MAR-TRE-67513f76-92
0.347
MAR-TRE-f6f5f473-23
0.347
MAR-TRE-7f7bb9f0-49
0.344
MAR-TRE-2fd8122f-30
0.343
MAR-TRE-b77b7921-77
0.343
MAR-TRE-9c797165-22
0.343
MAK-UNK-ca11b4f7-1
0.342
MAR-TRE-67513f76-93
0.341
JOH-IMS-cc7b4c67-2
0.340
ALE-HEI-f28a35b5-5
0.337
MAR-TRE-b77b7921-85
0.337
MAR-TRE-d0525fbf-64
0.337
MAR-TRE-2fd8122f-72
0.337
MAR-TRE-7f7bb9f0-6
0.337
SAD-SAT-cefd50cc-6
0.337
KEI-TRE-d5e2018a-75
0.336
ALE-HEI-f28a35b5-14
0.333
MAR-TRE-4b834d9a-31
0.333
MAR-TRE-b77b7921-53
0.333
JOH-IMS-cc7b4c67-6
0.333
KEI-TRE-d5e2018a-44
0.333
KEI-TRE-d5e2018a-77
0.333
MAR-TRE-7f7bb9f0-12
0.330
MAR-TRE-9c797165-57
0.330
CHR-SOS-f7373dd1-6
0.330
CHR-SOS-70e4c98a-8
0.330
MAK-UNK-c749d764-27
0.330
THO-SYG-f9b2970d-5
0.327
MAR-TRE-3e4e6814-6
0.327
MAR-TRE-7f7bb9f0-56
0.326
MAK-UNK-c749d764-17
0.326
SAD-SAT-24589cd1-4
0.326
MAK-UNK-acefcb18-21
0.324
JOH-IMS-cc7b4c67-4
0.324
MAR-TRE-3e4e6814-66
0.324
MAR-TRE-74c6519b-17
0.323
CHR-SOS-f7373dd1-3
0.323
MAR-TRE-3e4e6814-49
0.323
MAR-TRE-67513f76-13
0.323
MAR-TRE-74c6519b-91
0.323
CHR-SOS-70e4c98a-6
0.323
DAR-DIA-842b4336-12
0.322
MED-UNK-e6e8ef8a-6
0.322
DAR-DIA-842b4336-2
0.322
MAR-TRE-04c86cea-51
0.321
KEI-TRE-d5e2018a-100
0.320
MAR-TRE-9c797165-21
0.320
MAR-TRE-67513f76-55
0.320
MAR-TRE-3e4e6814-67
0.320
MAR-TRE-3e4e6814-62
0.320
MAR-TRE-04c86cea-81
0.320
MAT-POS-b5746674-74
0.320
MAR-TRE-7f7bb9f0-46
0.319
KAL-WAB-eb347ebe-1
0.319
MAK-UNK-a7b37c5e-5
0.318
KEI-TRE-d5e2018a-18
0.318
ALE-HEI-f28a35b5-16
0.318
AUS-ARG-7cfdce8f-11
0.318
KEI-TRE-d5e2018a-50
0.318
JOH-IMS-cc7b4c67-8
0.318
SAD-SAT-135344c3-7
0.317
MAR-TRE-2fd8122f-6
0.317
CHR-SOS-59746812-3
0.317
MAR-TRE-9c797165-14
0.317
KEI-TRE-d5e2018a-68
0.317
KEI-TRE-d5e2018a-92
0.317
MAK-UNK-5d2caa6f-1
0.316
MAR-TRE-7f7bb9f0-16
0.316
MAR-TRE-b77b7921-74
0.316
KEI-TRE-d5e2018a-27
0.316
MAR-TRE-3e4e6814-50
0.316