Molecular Properties | |
SMILES: | Cn1cnc(C#CC2(CC(=O)Nc3cccnc3)CCCCC2)c1 |
MW: | 322.412 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 59.81 |
cLogP: | 3.1459 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
triple bond
CHR-SOS-54d5cf3e-6
0.684
CHR-SOS-b301fc01-1
0.679
CHR-SOS-b301fc01-7
0.671
CHR-SOS-54d5cf3e-7
0.658
CHR-SOS-b301fc01-6
0.658
CHR-SOS-54d5cf3e-8
0.654
CHR-SOS-54d5cf3e-5
0.639
CHR-SOS-b301fc01-2
0.636
CHR-SOS-b301fc01-3
0.628
CHR-SOS-b301fc01-5
0.613
MAT-POS-13203bf4-1
0.561
CHR-SOS-54d5cf3e-2
0.547
CHR-SOS-54d5cf3e-4
0.534
CHR-SOS-54d5cf3e-1
0.529
WAR-XCH-e55cba98-10
0.528
CHR-SOS-54d5cf3e-3
0.528
MED-UNK-e6e8ef8a-6
0.481
CHR-SOS-f7373dd1-2
0.439
CHR-SOS-59746812-5
0.435
CHR-SOS-f7373dd1-3
0.432
MAR-TRE-f6f5f473-52
0.432
WAR-XCH-e55cba98-13
0.429
CHR-SOS-59746812-6
0.429
CHR-SOS-f7373dd1-1
0.424
MAR-TRE-2fd8122f-32
0.422
CHR-SOS-6c45c019-13
0.421
CHR-SOS-59746812-4
0.418
PET-SGC-d0156db4-2
0.416
CHR-SOS-f7373dd1-5
0.415
CHR-SOS-f7373dd1-6
0.409
CHR-SOS-70e4c98a-1
0.409
CHR-SOS-59746812-1
0.407
MAR-TRE-b77b7921-52
0.402
CHR-SOS-f7373dd1-4
0.400
CHR-SOS-59746812-2
0.400
CHR-SOS-6c45c019-14
0.400
MAR-TRE-7f7bb9f0-46
0.400
MAR-TRE-04c86cea-81
0.398
MAR-TRE-04c86cea-86
0.395
CHR-SOS-6c45c019-15
0.394
CHR-SOS-59746812-3
0.391
DAR-DIA-842b4336-11
0.390
CHR-SOS-6c45c019-16
0.387
CHR-SOS-70e4c98a-3
0.386
JOH-IMS-62aeb97d-5
0.384
MAR-TRE-b77b7921-91
0.382
CHR-SOS-70e4c98a-8
0.379
CHR-SOS-70e4c98a-2
0.375
MAR-TRE-4b834d9a-63
0.375
MAR-TRE-67513f76-81
0.375
CHR-SOS-70e4c98a-5
0.372
CHR-SOS-70e4c98a-6
0.372
PET-SGC-1fc12be1-1
0.372
CHR-SOS-e960e883-1
0.371
MAK-UNK-b2c98f02-6
0.371
MAT-POS-02ae579f-2
0.366
MAR-TRE-67513f76-92
0.366
MAK-UNK-ca11b4f7-1
0.365
AAR-POS-d2a4d1df-13
0.361
FRA-FAC-9ed5a63a-1
0.361
ALE-HEI-f28a35b5-9
0.361
WAR-XCH-e55cba98-7
0.361
MED-UNK-e6e8ef8a-4
0.360
CHR-SOS-70e4c98a-12
0.360
MAR-TRE-9c797165-52
0.360
MAR-TRE-9c797165-60
0.355
ALE-HEI-f28a35b5-14
0.354
ANN-UNI-26382800-5
0.352
MAR-TRE-2fd8122f-37
0.352
CHR-SOS-e960e883-2
0.351
MAK-UNK-c749d764-27
0.349
MAR-TRE-9c797165-57
0.347
MAK-UNK-c749d764-17
0.345
CHR-SOS-e960e883-3
0.344
DAR-DIA-842b4336-2
0.341
EDG-MED-0da5ad92-2
0.341
MED-UNK-e6e8ef8a-5
0.341
MAR-TRE-67513f76-13
0.341
MAR-TRE-d0525fbf-64
0.340
CHR-SOS-70e4c98a-11
0.340
CHR-SOS-70e4c98a-4
0.340
MED-UNK-e6e8ef8a-3
0.337
DAR-DIA-842b4336-16
0.337
MAR-TRE-67513f76-73
0.337
MAR-TRE-4b834d9a-31
0.337
MAR-TRE-b77b7921-53
0.337
KEI-TRE-d5e2018a-77
0.337
MAR-TRE-d0525fbf-54
0.337
MAR-TRE-2fd8122f-62
0.333
CHR-SOS-70e4c98a-9
0.333
MAR-TRE-7f7bb9f0-49
0.333
SAN-PRS-52b81272-2
0.333
MAR-TRE-7f7bb9f0-12
0.333
KEI-TRE-d5e2018a-68
0.333
KEI-TRE-d5e2018a-45
0.330
DAR-DIA-23aa0b97-16
0.329
SAD-SAT-24589cd1-4
0.329
MAR-TRE-7f7bb9f0-15
0.327
CHR-SOS-70e4c98a-7
0.327
MAR-TRE-7f7bb9f0-8
0.327