Molecular Properties | |
SMILES: | CCCCN1C(=O)CC(C(=O)Nc2cccnc2)C1c1ccc(OC)cc1 |
MW: | 367.19 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 71.53 |
cLogP: | 3.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z145985368 |
MAR-TRE-2fd8122f-50
0.675
MAR-TRE-2fd8122f-48
0.609
MAR-TRE-74c6519b-51
0.506
MAR-TRE-2fd8122f-87
0.474
MAR-TRE-2fd8122f-64
0.453
MAR-TRE-2fd8122f-42
0.426
MAR-TRE-67513f76-20
0.407
KEI-TRE-d5e2018a-49
0.400
MAR-TRE-2fd8122f-74
0.390
MAR-TRE-b77b7921-72
0.390
MAR-TRE-2fd8122f-27
0.386
MAR-TRE-f6f5f473-14
0.385
MAR-TRE-2fd8122f-12
0.375
MAR-TRE-7f7bb9f0-90
0.374
MAR-TRE-67513f76-55
0.361
KEI-TRE-d5e2018a-57
0.358
MAR-TRE-7f7bb9f0-16
0.358
KEI-TRE-d5e2018a-27
0.358
MAK-UNK-5d2caa6f-1
0.358
KEI-TRE-d5e2018a-92
0.357
KEI-TRE-d5e2018a-67
0.356
MAR-TRE-2fd8122f-79
0.356
MAR-TRE-f6f5f473-84
0.355
LON-WEI-120e5cf5-11
0.348
MAR-TRE-7f7bb9f0-18
0.347
KEI-TRE-d5e2018a-15
0.347
MAR-TRE-7f7bb9f0-12
0.343
MAR-TRE-2fd8122f-81
0.341
MAR-TRE-3e4e6814-6
0.340
DAR-DIA-842b4336-2
0.337
MAR-TRE-b77b7921-85
0.337
MAR-TRE-2fd8122f-59
0.327
KEI-TRE-d5e2018a-97
0.327
MAK-UNK-c749d764-14
0.326
JOH-IMS-62aeb97d-5
0.325
KEI-TRE-d5e2018a-94
0.324
MAR-TRE-2fd8122f-18
0.323
DAR-DIA-842b4336-11
0.322
MAR-TRE-74c6519b-66
0.321
MAR-TRE-2fd8122f-44
0.320
MED-UNK-e6e8ef8a-3
0.319
ALE-HEI-f28a35b5-16
0.318
MAR-TRE-3e4e6814-79
0.317
MAR-TRE-2fd8122f-28
0.317
AGN-NEW-891393a6-1
0.316
KEI-TRE-d5e2018a-84
0.314
MAR-TRE-2fd8122f-80
0.314
MAR-TRE-2fd8122f-38
0.314
MAR-TRE-d0525fbf-90
0.312
MAR-TRE-9c797165-80
0.312
MAR-TRE-7f7bb9f0-15
0.311
MAR-TRE-74c6519b-56
0.311
KEI-TRE-d5e2018a-88
0.311
JOH-IMS-62aeb97d-2
0.311
MAR-TRE-7f7bb9f0-6
0.311
MAR-TRE-4b834d9a-73
0.311
MAR-TRE-04c86cea-17
0.311
MAR-TRE-2fd8122f-13
0.310
JAG-UCB-a3ef7265-7
0.309
JOR-UNI-61e7b1d5-14
0.309
MAR-TRE-d0525fbf-54
0.309
MAR-TRE-d0525fbf-92
0.308
KEI-TRE-d5e2018a-95
0.308
KEI-TRE-d5e2018a-38
0.308
MAR-TRE-f6f5f473-23
0.308
MAR-TRE-2fd8122f-29
0.308
MAR-TRE-2fd8122f-19
0.308
MAR-TRE-9c797165-21
0.307
MAR-TRE-2fd8122f-77
0.307
MAR-TRE-7f7bb9f0-27
0.306
MAR-TRE-2fd8122f-92
0.306
MAR-TRE-d0525fbf-55
0.306
KEI-TRE-d5e2018a-30
0.306
MAR-TRE-7f7bb9f0-46
0.305
MAR-TRE-04c86cea-46
0.304
ALE-HEI-f28a35b5-14
0.302
MAR-TRE-3e4e6814-50
0.302
SAD-SAT-135344c3-9
0.302
MAR-TRE-b77b7921-52
0.301
KEI-TRE-d5e2018a-34
0.301
MAR-TRE-f6f5f473-46
0.301
MAR-TRE-67513f76-81
0.300
MAR-TRE-2fd8122f-8
0.299
DUN-NEW-f8ce3686-17
0.299
KEI-TRE-d5e2018a-73
0.299
MAR-TRE-2fd8122f-93
0.299
MAR-TRE-9c797165-52
0.299
SAN-PRS-52b81272-3
0.299
DAR-DIA-842b4336-6
0.298
MAR-TRE-f6f5f473-78
0.298
SAD-SAT-689b7d5a-9
0.298
MAR-TRE-2fd8122f-100
0.297
JOR-UNI-61e7b1d5-28
0.297
SAD-SAT-cefd50cc-7
0.297
MAR-TRE-2fd8122f-35
0.297
MAR-TRE-2fd8122f-72
0.297
MAK-UNK-c749d764-17
0.297
JOR-UNI-2fc98d0b-5
0.296
JOR-UNI-2fc98d0b-11
0.296
MAK-UNK-ca11b4f7-3
0.296