Molecular Properties | |
SMILES: | CC1(C)CC(NC(=O)Nc2cccnc2)CC(C)(C)O1 |
MW: | 277.18 |
Fraction sp3: | 0.6 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 63.25 |
cLogP: | 2.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z3501902366 |
Enamine Extended REAL: | s_2430____881164____15426608 |
ALE-HEI-f28a35b5-9
FRA-FAC-9ed5a63a-3
0.565
ALE-HEI-f28a35b5-8
0.557
FRA-FAC-9ed5a63a-4
0.530
AAR-POS-d2a4d1df-11
0.450
DAR-DIA-842b4336-6
0.449
MAK-UNK-009ebe36-3
0.449
SAD-SAT-135344c3-4
0.449
MAK-UNK-009ebe36-10
0.443
SAD-SAT-135344c3-5
0.443
DAR-DIA-842b4336-2
0.431
WAR-XCH-eb7b662f-6
0.424
ALE-HEI-f28a35b5-4
0.412
MAK-UNK-d1e89583-1
0.409
MAK-UNK-ca11b4f7-3
0.407
ALE-HEI-f28a35b5-15
0.406
DAR-DIA-842b4336-7
0.406
DAR-DIA-842b4336-3
0.403
MAK-UNK-d1e89583-3
0.403
MAK-UNK-009ebe36-6
0.402
JOH-IMS-62aeb97d-5
0.400
WAR-XCH-eb7b662f-5
0.400
DAR-DIA-842b4336-1
0.400
NAU-LAT-445f63e5-6
0.397
MAK-UNK-009ebe36-9
0.395
WAR-XCH-eb7b662f-3
0.394
SAD-SAT-689b7d5a-4
0.392
MAK-UNK-d1e89583-2
0.391
MAR-TRE-67513f76-81
0.390
SAD-SAT-cefd50cc-1
0.389
DAR-DIA-23aa0b97-15
0.388
MAR-TRE-2fd8122f-27
0.388
ADA-UNI-f8e79267-6
0.387
DAR-DIA-842b4336-8
0.386
WAR-XCH-eb7b662f-4
0.386
WIL-UNI-5578df48-21
0.386
MED-UNK-e6e8ef8a-6
0.386
MED-UNK-e6e8ef8a-1
0.386
WIL-UNI-5578df48-2
0.385
MAK-UNK-ca11b4f7-2
0.383
JAN-GHE-83b26c96-19
0.382
DAR-DIA-842b4336-4
0.382
DAR-DIA-23aa0b97-14
0.382
ALE-HEI-f28a35b5-16
0.382
JOR-UNI-2fc98d0b-7
0.382
WAR-XCH-eb7b662f-7
0.382
ANN-UNI-26382800-3
0.382
JOH-UNK-14e6adc5-2
0.382
MAR-TRE-7f7bb9f0-68
0.380
TRY-UNI-bbd40bb4-4
0.380
SAN-PRS-52b81272-3
0.379
MAK-UNK-d1e89583-9
0.378
BAR-COM-21d20d65-2
0.378
MAR-TRE-9c797165-24
0.378
MAK-UNK-ca11b4f7-1
0.377
MAK-UNK-d1e89583-4
0.377
MAK-UNK-d1e89583-7
0.377
DAR-DIA-842b4336-9
0.375
TRY-UNI-bbd40bb4-3
0.373
JOH-IMS-62aeb97d-3
0.371
JOH-IMS-62aeb97d-1
0.371
MAK-UNK-d1e89583-5
0.370
MAK-UNK-d1e89583-6
0.370
WIL-UNI-5578df48-17
0.367
WIL-UNI-5578df48-20
0.367
DAR-DIA-842b4336-11
0.366
MED-UNK-e6e8ef8a-7
0.366
DAR-DIA-842b4336-5
0.366
CHR-SOS-363cfb78-1
0.366
ANT-DIA-3c79be55-4
0.365
CHR-SOS-70e4c98a-6
0.365
WIL-UNI-5578df48-22
0.365
PET-SGC-1fc12be1-1
0.365
SAD-SAT-689b7d5a-3
0.365
ALE-HEI-f28a35b5-14
0.364
IAN-BAS-df1706d7-1
0.364
AUS-ARG-7cfdce8f-11
0.362
JOH-IMS-62aeb97d-4
0.362
SAD-SAT-f25ee457-7
0.361
CAS-DEP-e179b1f5-1
0.361
CHR-SOS-363cfb78-3
0.361
WAR-XCH-eb7b662f-1
0.361
MED-UNK-e6e8ef8a-3
0.361
ANN-UNI-26382800-4
0.361
DAR-DIA-23aa0b97-5
0.361
JOR-UNI-61e7b1d5-2
0.361
CHR-SOS-f7373dd1-4
0.360
SAN-PRS-52b81272-2
0.358
STE-LAU-aafa5dff-1
0.358
ADA-UNI-f8e79267-3
0.358
WIL-UNI-5578df48-25
0.357
CHR-SOS-f7373dd1-5
0.356
MAK-UNK-d1e89583-8
0.355
ADA-UNI-f8e79267-5
0.355
JIA-UNI-12b1f9ae-1
0.355
CHR-SOS-70e4c98a-8
0.355
WIL-UNI-5578df48-26
0.354
CHR-SOS-f7373dd1-6
0.354
SAD-SAT-689b7d5a-6
0.354
MAT-POS-13203bf4-1
0.354
BAR-COM-5694a99d-1
0.354