Molecular Properties | |
SMILES: | O=C(NCc1sccc1Cl)Nc1cccnc1 |
MW: | 267.02 |
Fraction sp3: | 0.09 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 54.02 |
cLogP: | 3.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | s_2430____881164____13654768 |
AAR-POS-d2a4d1df-11
MAK-UNK-d1e89583-3
0.603
MAK-UNK-d1e89583-9
0.594
MAK-UNK-d1e89583-6
0.562
MAK-UNK-d1e89583-7
0.532
MAK-UNK-d1e89583-2
0.500
ALE-HEI-f28a35b5-15
0.500
MAK-UNK-d1e89583-1
0.500
MAK-UNK-d1e89583-8
0.471
DAR-DIA-842b4336-1
0.468
SAD-SAT-135344c3-2
0.461
DAR-DIA-842b4336-4
0.446
ISA-SCH-8e98219b-4
0.439
MAK-UNK-d1e89583-4
0.439
WAR-XCH-eb7b662f-3
0.438
MAK-UNK-ca11b4f7-2
0.431
DAR-DIA-23aa0b97-15
0.431
SAD-SAT-135344c3-3
0.430
SAD-SAT-135344c3-6
0.429
MAK-UNK-009ebe36-4
0.427
MAK-UNK-009ebe36-5
0.427
WAR-XCH-eb7b662f-4
0.426
DAR-DIA-842b4336-8
0.426
AAR-POS-d2a4d1df-11
0.426
WAR-XCH-eb7b662f-7
0.424
JOR-UNI-2fc98d0b-7
0.424
JAN-GHE-83b26c96-19
0.424
DAR-DIA-23aa0b97-14
0.424
MAK-UNK-ca11b4f7-1
0.424
SAD-SAT-135344c3-1
0.415
SAD-SAT-135344c3-9
0.415
MAR-TRE-67513f76-81
0.414
MAK-UNK-a7b37c5e-1
0.412
SAD-SAT-689b7d5a-4
0.411
MAK-UNK-009ebe36-7
0.405
DAR-DIA-842b4336-3
0.403
JOH-IMS-62aeb97d-5
0.400
WAR-XCH-eb7b662f-5
0.400
DAR-DIA-842b4336-10
0.397
ALE-HEI-f28a35b5-4
0.391
MAK-UNK-a7b37c5e-4
0.388
DAR-DIA-842b4336-2
0.388
DAR-DIA-842b4336-7
0.386
DAR-DIA-842b4336-13
0.386
CHR-SOS-363cfb78-1
0.386
DAR-DIA-842b4336-5
0.386
WAR-XCH-eb7b662f-2
0.384
MAK-UNK-ca11b4f7-3
0.383
WAR-XCH-eb7b662f-6
0.382
JOH-UNK-14e6adc5-2
0.382
ANN-UNI-26382800-3
0.382
MAK-UNK-009ebe36-8
0.378
ALE-HEI-f28a35b5-8
0.377
SAD-SAT-135344c3-8
0.376
SAD-SAT-135344c3-10
0.375
MAR-TRE-7f7bb9f0-74
0.375
JIA-UNI-12b1f9ae-1
0.373
DAR-DIA-23aa0b97-16
0.371
SAD-SAT-689b7d5a-9
0.370
DAR-DIA-842b4336-6
0.370
WIL-UNI-5578df48-14
0.368
MAK-UNK-009ebe36-1
0.368
MAR-TRE-2fd8122f-27
0.368
WIL-UNI-5578df48-17
0.367
EDG-MED-0da5ad92-2
0.366
ALE-HEI-f28a35b5-5
0.366
WIL-UNI-5578df48-21
0.366
FRA-FAC-9ed5a63a-3
0.366
MAR-TRE-2fd8122f-99
0.364
ALE-HEI-f28a35b5-14
0.364
WIL-UNI-5578df48-2
0.364
FAR-UNI-736b943a-6
0.364
MAK-UNK-a7b37c5e-5
0.362
ANN-UNI-26382800-4
0.361
WAR-XCH-eb7b662f-1
0.361
MAK-UNK-a7b37c5e-2
0.361
DAR-DIA-23aa0b97-5
0.361
JOR-UNI-61e7b1d5-2
0.361
WIL-UNI-5578df48-15
0.360
SAN-PRS-52b81272-3
0.358
SAN-PRS-52b81272-2
0.358
MAK-UNK-009ebe36-10
0.357
CHR-SOS-7098f804-12
0.357
DAR-DIA-842b4336-9
0.356
SAD-SAT-689b7d5a-6
0.354
BAR-COM-5694a99d-5
0.354
MAR-TRE-2fd8122f-32
0.354
SAD-SAT-24589cd1-4
0.353
JOH-IMS-62aeb97d-2
0.352
FRA-FAC-9ed5a63a-1
0.352
ALE-HEI-f28a35b5-9
0.352
MAK-UNK-c749d764-17
0.352
AAR-POS-d2a4d1df-13
0.352
SAD-SAT-cefd50cc-1
0.351
MAR-TRE-67513f76-87
0.351
MAK-UNK-10dfa458-16
0.350
MAK-UNK-51bb34f9-3
0.348
DAR-DIA-842b4336-11
0.347
DAR-DIA-842b4336-12
0.347
MED-UNK-e6e8ef8a-6
0.347
SAD-SAT-689b7d5a-3
0.347