Molecular Properties | |
SMILES: | O=C(NC1=CC=CC[C@H]1C(=O)NC1=CC=CC1)Nc1cccnc1 |
MW: | 322.368 |
Fraction sp3: | 0.17 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 83.12 |
cLogP: | 2.6231 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Enamines
AAR-POS-d2a4d1df-2
DAR-DIA-842b4336-3
0.408
DAR-DIA-842b4336-1
0.405
DAR-DIA-842b4336-2
0.395
DAR-DIA-842b4336-5
0.392
AAR-POS-d2a4d1df-11
0.389
WAR-XCH-eb7b662f-3
0.382
ALE-HEI-f28a35b5-4
0.380
DAR-DIA-23aa0b97-15
0.377
WIL-UNI-5578df48-21
0.375
DAR-DIA-842b4336-4
0.372
WAR-XCH-eb7b662f-6
0.372
JOR-UNI-2fc98d0b-7
0.372
DAR-DIA-23aa0b97-14
0.372
ANN-UNI-26382800-3
0.372
JOH-UNK-14e6adc5-2
0.372
WAR-XCH-eb7b662f-7
0.372
JAN-GHE-83b26c96-19
0.372
WAR-XCH-eb7b662f-5
0.370
MAK-UNK-d1e89583-7
0.367
DAR-DIA-842b4336-9
0.366
BAR-COM-21d20d65-7
0.366
MAK-UNK-d1e89583-2
0.362
DAR-DIA-842b4336-6
0.361
SAD-SAT-689b7d5a-9
0.361
WIL-UNI-5578df48-19
0.360
DAR-DIA-842b4336-7
0.358
WAR-XCH-eb7b662f-4
0.358
CHR-SOS-363cfb78-1
0.358
WAR-XCH-eb7b662f-2
0.357
WIL-UNI-5578df48-22
0.357
IAN-BAS-df1706d7-1
0.356
TRY-UNI-bbd40bb4-4
0.356
BAR-COM-21d20d65-2
0.355
WAR-XCH-eb7b662f-1
0.354
ANN-UNI-26382800-4
0.354
DAR-DIA-23aa0b97-5
0.354
JOR-UNI-61e7b1d5-2
0.354
MAK-UNK-ca11b4f7-3
0.352
STE-LAU-aafa5dff-1
0.352
WIL-UNI-5578df48-25
0.351
MAK-UNK-d1e89583-4
0.350
ALE-HEI-f28a35b5-8
0.350
BAR-COM-21d20d65-5
0.348
BAR-COM-5694a99d-1
0.348
SAD-SAT-cefd50cc-1
0.345
WIL-UNI-5578df48-17
0.344
MAK-UNK-d1e89583-1
0.342
FRA-FAC-9ed5a63a-3
0.341
DAR-DIA-842b4336-8
0.341
DAR-DIA-842b4336-12
0.341
SAD-SAT-689b7d5a-3
0.341
JAG-UCB-a3ef7265-7
0.341
JOR-UNI-61e7b1d5-1
0.341
ALE-HEI-f28a35b5-15
0.338
SAD-SAT-689b7d5a-8
0.337
SAD-SAT-f25ee457-8
0.337
BAR-COM-21d20d65-4
0.337
BAR-COM-21d20d65-8
0.337
TRY-UNI-bbd40bb4-3
0.337
WIL-UNI-5578df48-26
0.333
MAK-UNK-129dcd6f-3
0.333
DOU-UNK-b5326f8f-19
0.330
HUB-UNK-9845d277-14
0.330
BAR-COM-21d20d65-6
0.330
MAK-UNK-129dcd6f-4
0.330
WIL-UNI-5578df48-23
0.330
DAR-DIA-842b4336-14
0.329
MAK-UNK-d1e89583-6
0.329
JOH-IMS-62aeb97d-5
0.329
FRA-FAC-9ed5a63a-4
0.326
MED-UNK-e6e8ef8a-1
0.325
MAR-TRE-2fd8122f-27
0.325
WAR-XCH-6eb0722e-2
0.323
SAD-SAT-689b7d5a-7
0.323
LON-WEI-5e7d1b3e-22
0.323
MAK-UNK-009ebe36-10
0.323
BAR-COM-21d20d65-1
0.323
LON-WEI-4d77710c-22
0.323
BAR-COM-21d20d65-9
0.323
MAK-UNK-129dcd6f-2
0.323
ALE-MCD-4ac17b19-1
0.323
WIL-UNI-5578df48-24
0.323
WIL-UNI-5578df48-28
0.322
WIL-UNI-5578df48-15
0.322
TAM-UNI-c140e31a-19
0.322
MED-UNK-e6e8ef8a-3
0.321
SAD-SAT-135344c3-7
0.320
MAR-TRE-67513f76-81
0.319
JIA-UNI-12b1f9ae-1
0.318
WAR-XCH-6eb0722e-3
0.317
WIL-UNI-5578df48-30
0.316
BAR-COM-21d20d65-3
0.316
HUB-UNK-9845d277-3
0.315
SAD-SAT-689b7d5a-5
0.315
WIL-UNI-5578df48-20
0.315
MAK-UNK-30aad1f1-12
0.315
MAK-UNK-129dcd6f-12
0.315
MAK-UNK-ca11b4f7-2
0.315
MAR-TRE-f6f5f473-84
0.315
WIL-UNI-5578df48-14
0.315