Molecular Properties | |
SMILES: | Nc1nc(C(=O)Nc2cccnc2)nc(N2CCOCC2)n1 |
MW: | 301.13 |
Fraction sp3: | 0.31 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 119.15 |
cLogP: | -0.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2477361819 |
aniline
JOH-UNI-abdb2f0c-1
0.420
MAR-TRE-3e4e6814-34
0.412
KEI-TRE-d5e2018a-32
0.412
KEI-TRE-d5e2018a-9
0.407
KEI-TRE-d5e2018a-10
0.404
MAR-TRE-67513f76-51
0.400
KEI-TRE-d5e2018a-22
0.393
KEI-TRE-d5e2018a-36
0.393
KEI-TRE-d5e2018a-13
0.391
MAR-TRE-2fd8122f-15
0.389
KEI-TRE-d5e2018a-52
0.389
MAR-TRE-2fd8122f-31
0.389
JOH-UNI-abdb2f0c-2
0.381
KEI-TRE-d5e2018a-61
0.380
MAR-TRE-3e4e6814-92
0.380
ANT-DIA-3c79be55-5
0.376
MAR-TRE-2fd8122f-55
0.371
JOH-IMS-62aeb97d-3
0.367
KEI-TRE-d5e2018a-53
0.365
MAR-TRE-2fd8122f-7
0.363
ASH-UNK-40b46b30-15
0.362
MAR-TRE-4b834d9a-64
0.360
MAR-TRE-2fd8122f-96
0.359
MAK-UNK-009ebe36-4
0.358
MAR-TRE-2fd8122f-36
0.355
CHR-SOS-7098f804-12
0.354
MAR-TRE-4b834d9a-92
0.354
MAR-TRE-2fd8122f-88
0.351
MAR-TRE-2fd8122f-94
0.351
JOR-UNI-2fc98d0b-6
0.347
FRA-FAC-9ed5a63a-4
0.345
MAR-TRE-4b834d9a-57
0.344
MAR-TRE-7f7bb9f0-82
0.344
ALE-HEI-f28a35b5-15
0.342
ALE-HEI-f28a35b5-16
0.342
JOH-IMS-62aeb97d-4
0.342
JOR-UNI-2fc98d0b-1
0.340
SAD-SAT-135344c3-1
0.333
SAD-SAT-f25ee457-3
0.330
MAR-TRE-b77b7921-85
0.330
JAG-UCB-a3ef7265-7
0.330
ANT-DIA-3c79be55-4
0.329
DAR-DIA-842b4336-11
0.329
MAR-TRE-2fd8122f-35
0.327
MAR-TRE-9c797165-94
0.326
JAN-GHE-4287bd1a-9
0.325
CHR-SOS-7098f804-11
0.325
SAD-SAT-2fd372d1-7
0.325
ALE-HEI-f28a35b5-14
0.325
MAR-TRE-67513f76-81
0.324
MAR-TRE-7f7bb9f0-81
0.323
CHR-SOS-7098f804-18
0.322
ALE-HEI-f28a35b5-8
0.321
JOR-UNI-61e7b1d5-16
0.320
CHR-SOS-7098f804-19
0.320
MAK-UNK-ca11b4f7-3
0.319
MAK-UNK-ca11b4f7-2
0.319
MAR-TRE-d0525fbf-90
0.318
MAR-TRE-9c797165-80
0.318
MED-UNK-e6e8ef8a-4
0.318
FRA-FAC-9ed5a63a-1
0.317
AAR-POS-d2a4d1df-13
0.317
ALE-HEI-f28a35b5-9
0.317
JOH-IMS-62aeb97d-1
0.317
KEI-TRE-d5e2018a-90
0.317
SAD-SAT-24589cd1-4
0.316
MAR-TRE-2fd8122f-22
0.316
MAR-TRE-2fd8122f-72
0.315
JOH-IMS-62aeb97d-5
0.315
MAK-UNK-ca11b4f7-1
0.315
NAU-LAT-64f4b287-10
0.315
MAR-TRE-4b834d9a-24
0.314
JOR-UNI-61e7b1d5-3
0.314
FRA-FAC-9ed5a63a-3
0.313
MED-UNK-e6e8ef8a-1
0.313
MED-UNK-e6e8ef8a-7
0.313
DAR-DIA-842b4336-13
0.313
TRY-UNI-bbd40bb4-3
0.312
MAR-TRE-2fd8122f-27
0.312
MAK-UNK-a7b37c5e-4
0.312
DAR-DIA-842b4336-2
0.312
CHR-SOS-7098f804-15
0.312
JOR-UNI-2fc98d0b-9
0.311
MAR-TRE-d0525fbf-77
0.311
MAR-TRE-7f7bb9f0-46
0.310
MAR-TRE-67513f76-73
0.310
LON-WEI-120e5cf5-11
0.310
MED-UNK-e6e8ef8a-3
0.310
MAR-TRE-9c797165-46
0.310
FRA-FAC-9ed5a63a-2
0.310
MED-UNK-e6e8ef8a-2
0.310
JOR-UNI-61e7b1d5-17
0.309
MAR-TRE-9c797165-14
0.309
JOR-UNI-61e7b1d5-4
0.308
MAR-TRE-d0525fbf-84
0.307
DAR-DIA-842b4336-9
0.306
MAR-TRE-2fd8122f-21
0.305
ZAC-WAB-3baddbb3-1
0.305
ZAC-WAB-d55a3c2e-2
0.305
DAR-DIA-842b4336-10
0.305