Molecular Properties | |
SMILES: | O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)Nc1cccnc1 |
MW: | 353.19 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 77.57 |
cLogP: | 1.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1127210463 |
Enamine Extended REAL: | s_487____14569954____150243 |
AAR-POS-d2a4d1df-11
SAD-SAT-135344c3-8
0.566
MAR-TRE-66ac689e-34
0.532
SAD-SAT-135344c3-9
0.466
MAK-UNK-7c9d1431-24
0.464
DRR-IMP-38dce17f-3
0.464
DRR-IMP-38dce17f-4
0.446
NAU-LAT-445f63e5-6
0.419
SAD-SAT-689b7d5a-4
0.415
MAK-UNK-d1e89583-1
0.413
ALE-HEI-f28a35b5-15
0.411
AAR-POS-d2a4d1df-11
0.408
SAN-PRS-52b81272-2
0.405
MAK-UNK-d1e89583-8
0.398
SAD-SAT-1f400d17-1
0.397
MAK-UNK-009ebe36-10
0.396
SAD-SAT-135344c3-7
0.391
WIL-UNI-5578df48-30
0.387
MAK-UNK-d1e89583-9
0.386
MAK-UNK-d1e89583-5
0.378
MAK-UNK-d1e89583-6
0.378
SAD-SAT-135344c3-2
0.378
DAR-DIA-842b4336-2
0.377
CHR-SOS-59746812-1
0.376
MAK-UNK-d1e89583-3
0.373
SAD-SAT-135344c3-1
0.372
CHR-SOS-59746812-5
0.372
STE-KUL-2e0d2e88-7
0.372
SAD-SAT-135344c3-3
0.370
MAR-TRE-74c6519b-47
0.369
WIL-UNI-5578df48-3
0.369
LON-WEI-120e5cf5-11
0.369
MAK-UNK-d1e89583-7
0.367
SAD-SAT-b55127ae-4
0.367
DAR-DIA-842b4336-9
0.366
MAK-UNK-009ebe36-7
0.365
THO-SYG-f9b2970d-2
0.359
DAR-DIA-842b4336-11
0.358
ANT-OPE-c0c3e7cc-1
0.358
CHR-SOS-70e4c98a-6
0.357
WIL-UNI-5578df48-2
0.355
DRR-IMP-38dce17f-6
0.355
ALE-HEI-f28a35b5-16
0.354
AUS-ARG-7cfdce8f-11
0.354
MAK-UNK-009ebe36-4
0.354
MAK-UNK-a7b37c5e-2
0.354
MAK-UNK-af83ef51-1
0.353
CHR-SOS-f7373dd1-4
0.353
MAR-TRE-67513f76-73
0.353
BAR-COM-21d20d65-4
0.352
SAD-SAT-135344c3-6
0.352
SAD-SAT-135344c3-10
0.352
BAR-COM-21d20d65-1
0.351
DAR-DIA-842b4336-1
0.351
SAN-PRS-52b81272-3
0.351
CHR-SOS-70e4c98a-8
0.349
MAR-TRE-04c86cea-97
0.349
WIL-UNI-5578df48-26
0.348
MAK-UNK-ca11b4f7-1
0.347
MED-COV-4280ac29-1
0.346
WAR-XCH-eb7b662f-3
0.346
MAK-UNK-a7b37c5e-1
0.346
CHR-SOS-f7373dd1-1
0.345
MAR-TRE-3e4e6814-45
0.344
WIL-UNI-5578df48-16
0.344
GIA-UNK-5ec6c2b8-3
0.342
DAR-DIA-23aa0b97-15
0.342
FRA-FAC-9ed5a63a-3
0.341
CHR-SOS-70e4c98a-3
0.341
MAR-TRE-d0525fbf-64
0.341
MAK-UNK-009ebe36-5
0.340
MAR-TRE-67513f76-81
0.338
DAR-DIA-842b4336-4
0.338
WAR-XCH-eb7b662f-7
0.338
JOR-UNI-2fc98d0b-7
0.338
JAN-GHE-83b26c96-19
0.338
DAR-DIA-23aa0b97-14
0.338
JOH-IMS-62aeb97d-4
0.338
SAD-SAT-2fd372d1-7
0.337
WIL-UNI-5578df48-15
0.337
MAR-TRE-66ac689e-43
0.337
WIL-UNI-5578df48-28
0.337
ALE-MCD-4ac17b19-1
0.337
BAR-COM-21d20d65-7
0.337
LON-WEI-5e7d1b3e-22
0.337
LON-WEI-4d77710c-22
0.337
SAD-SAT-689b7d5a-2
0.337
EMI-TUK-a58865cc-6
0.333
MAK-UNK-d1e89583-4
0.333
CHR-SOS-70e4c98a-1
0.333
MAK-UNK-ca11b4f7-2
0.333
ALE-HEI-f28a35b5-8
0.333
ADA-UNI-f8e79267-5
0.333
MAK-UNK-b2c98f02-5
0.333
MAK-UNK-009ebe36-1
0.333
BAR-COM-5694a99d-1
0.333
MAT-POS-b5746674-110
0.333
MAK-UNK-de8f6d00-5
0.330
MAK-UNK-de8f6d00-3
0.330
MAK-UNK-51bb34f9-3
0.330
DOU-UNK-b5326f8f-19
0.330