Molecular Properties | |
SMILES: | O=C(C[C@@]1(C(=O)Nc2cccnc2)CCNC1)Nc1cccnc1 |
MW: | 325.15 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 96.01 |
cLogP: | 1.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9c797165-56
0.551
MED-UNK-e6e8ef8a-6
0.523
CHR-SOS-70e4c98a-6
0.493
CHR-SOS-70e4c98a-3
0.486
CHR-SOS-f7373dd1-5
0.485
MAR-TRE-7f7bb9f0-95
0.479
CHR-SOS-70e4c98a-8
0.479
MAR-TRE-67513f76-81
0.474
CHR-SOS-70e4c98a-1
0.473
PET-SGC-1fc12be1-1
0.471
CHR-SOS-f7373dd1-2
0.471
CHR-SOS-f7373dd1-4
0.465
CHR-SOS-59746812-2
0.465
CHR-SOS-70e4c98a-5
0.462
CHR-SOS-70e4c98a-11
0.461
CHR-SOS-59746812-6
0.458
MAK-UNK-ca11b4f7-1
0.458
JOH-IMS-62aeb97d-5
0.458
CHR-SOS-54d5cf3e-1
0.457
MAR-TRE-7f7bb9f0-8
0.456
CHR-SOS-f7373dd1-1
0.452
CHR-SOS-59746812-1
0.452
CHR-SOS-54d5cf3e-7
0.450
CHR-SOS-59746812-5
0.446
CHR-SOS-70e4c98a-2
0.444
MAR-TRE-74c6519b-17
0.442
CHR-SOS-b301fc01-2
0.442
MAR-TRE-b77b7921-85
0.442
WAR-XCH-e55cba98-10
0.440
CHR-SOS-54d5cf3e-3
0.440
CHR-SOS-54d5cf3e-2
0.439
MAR-TRE-7f7bb9f0-38
0.439
MAR-TRE-04c86cea-86
0.438
ALE-HEI-f28a35b5-14
0.438
CHR-SOS-b301fc01-3
0.436
CHR-SOS-f7373dd1-6
0.434
MAK-UNK-a7b37c5e-5
0.433
CHR-SOS-b301fc01-1
0.432
CHR-SOS-54d5cf3e-4
0.429
CHR-SOS-b301fc01-5
0.425
SAD-SAT-24589cd1-4
0.424
CHR-SOS-f7373dd1-3
0.423
MAR-TRE-f6f5f473-52
0.423
PET-SGC-d0156db4-2
0.423
CHR-SOS-54d5cf3e-6
0.422
MAR-TRE-b77b7921-91
0.421
CHR-SOS-70e4c98a-7
0.420
MAR-TRE-7f7bb9f0-90
0.419
MAK-UNK-a7b37c5e-4
0.418
CHR-SOS-70e4c98a-4
0.417
CHR-SOS-54d5cf3e-8
0.417
CHR-SOS-b301fc01-6
0.415
KEI-TRE-d5e2018a-92
0.412
MAR-TRE-2fd8122f-32
0.412
MAR-TRE-7f7bb9f0-81
0.412
CHR-SOS-59746812-3
0.412
CHR-SOS-b301fc01-7
0.410
CHR-SOS-70e4c98a-9
0.410
SAN-PRS-52b81272-2
0.409
CHR-SOS-59746812-4
0.407
CHR-SOS-70e4c98a-12
0.407
CHR-SOS-54d5cf3e-5
0.407
DAR-DIA-842b4336-10
0.406
WAR-XCH-e55cba98-13
0.404
MAK-UNK-c749d764-27
0.403
MAR-TRE-04c86cea-81
0.403
MAR-TRE-3e4e6814-62
0.403
MAR-TRE-4b834d9a-31
0.403
MAR-TRE-3e4e6814-67
0.403
FRA-FAC-9ed5a63a-1
0.400
ALE-HEI-f28a35b5-9
0.400
MAK-UNK-c749d764-17
0.400
CHR-SOS-b301fc01-4
0.400
AAR-POS-d2a4d1df-13
0.400
CHR-SOS-e960e883-2
0.398
MAR-TRE-b77b7921-74
0.397
MED-UNK-e6e8ef8a-4
0.397
MAR-TRE-2fd8122f-27
0.397
MED-UNK-e6e8ef8a-5
0.394
DAR-DIA-842b4336-11
0.394
ALE-HEI-f28a35b5-5
0.394
AUS-ARG-7cfdce8f-11
0.391
JOH-IMS-62aeb97d-4
0.391
CHR-SOS-e960e883-3
0.390
MED-UNK-e6e8ef8a-3
0.389
MED-UNK-e6e8ef8a-2
0.389
MAK-UNK-a7b37c5e-2
0.389
DAR-DIA-842b4336-16
0.389
FRA-FAC-9ed5a63a-2
0.389
MAK-UNK-b2c98f02-6
0.388
CHR-SOS-e960e883-1
0.388
MAR-TRE-3e4e6814-59
0.388
DAR-DIA-23aa0b97-17
0.387
MAR-TRE-67513f76-55
0.383
MAR-TRE-3e4e6814-50
0.382
MAK-UNK-a7b37c5e-1
0.380
DAR-DIA-23aa0b97-16
0.380
MAR-TRE-d0525fbf-92
0.379
KEI-TRE-d5e2018a-95
0.379
MAR-TRE-7f7bb9f0-56
0.378