Molecular Properties | |
SMILES: | Nc1ncnc2c1ncn2CC1CCC(C(=O)Nc2cccnc2)O1 |
MW: | 339.14 |
Fraction sp3: | 0.31 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 120.84 |
cLogP: | 0.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
MAR-TRE-9c797165-48
0.392
MAR-TRE-7f7bb9f0-97
0.381
MAR-TRE-67513f76-37
0.366
MAR-TRE-4b834d9a-67
0.346
MAR-TRE-9c797165-86
0.340
MAR-TRE-2fd8122f-27
0.337
MAR-TRE-9c797165-80
0.326
LON-WEI-120e5cf5-11
0.320
MAR-TRE-9c797165-46
0.319
MAR-TRE-2fd8122f-64
0.315
MAR-TRE-2fd8122f-42
0.314
MAR-TRE-d0525fbf-90
0.313
MAR-TRE-2fd8122f-81
0.312
MAR-TRE-2fd8122f-12
0.312
JOH-IMS-62aeb97d-1
0.312
NAU-LAT-64f4b287-10
0.310
MAR-TRE-d0525fbf-54
0.310
FRA-FAC-9ed5a63a-4
0.309
MAR-TRE-67513f76-84
0.309
MAR-TRE-2fd8122f-44
0.308
KEI-TRE-d5e2018a-15
0.308
MAR-TRE-7f7bb9f0-18
0.308
MAR-TRE-67513f76-83
0.308
MAR-TRE-3e4e6814-54
0.306
MAK-UNK-5d2caa6f-1
0.304
MAR-TRE-2fd8122f-38
0.302
MAR-TRE-67513f76-81
0.301
ALE-HEI-f28a35b5-8
0.301
MAR-TRE-f6f5f473-84
0.300
MAR-TRE-f6f5f473-78
0.299
MAR-TRE-2fd8122f-13
0.298
MAR-TRE-9c797165-60
0.298
MAR-TRE-2fd8122f-72
0.298
MAR-TRE-74c6519b-17
0.298
MAR-TRE-74c6519b-51
0.298
ALE-HEI-f28a35b5-9
0.298
FRA-FAC-9ed5a63a-1
0.298
JOH-IMS-62aeb97d-3
0.298
AAR-POS-d2a4d1df-13
0.298
KEI-TRE-d5e2018a-49
0.297
JAG-UCB-a3ef7265-7
0.297
MAR-TRE-2fd8122f-18
0.297
MAR-TRE-2fd8122f-29
0.296
MAR-TRE-2fd8122f-33
0.296
MAR-TRE-7f7bb9f0-64
0.295
FRA-FAC-9ed5a63a-3
0.295
MAR-TRE-2fd8122f-92
0.295
KEI-TRE-d5e2018a-30
0.295
MAR-TRE-7f7bb9f0-27
0.295
MAR-TRE-67513f76-20
0.294
MAR-TRE-2fd8122f-28
0.292
MAR-TRE-74c6519b-81
0.292
KEI-TRE-d5e2018a-97
0.291
MAR-TRE-2fd8122f-59
0.291
SAM-NON-00e80a91-1
0.290
MAR-TRE-2fd8122f-50
0.290
MAR-TRE-2fd8122f-89
0.290
MAR-TRE-9c797165-87
0.288
MAR-TRE-2fd8122f-8
0.288
KEI-TRE-d5e2018a-94
0.288
MAR-TRE-9c797165-88
0.287
MAR-TRE-04c86cea-17
0.287
MAR-TRE-7f7bb9f0-82
0.287
MAR-TRE-2fd8122f-75
0.287
SAN-PRS-52b81272-3
0.286
MAR-TRE-2fd8122f-48
0.286
MAR-TRE-7f7bb9f0-68
0.286
MAR-TRE-b77b7921-80
0.286
TRY-UNI-bbd40bb4-3
0.284
ANT-DIA-3c79be55-5
0.284
MAR-TRE-74c6519b-91
0.284
RED-RED-10c9212c-5
0.283
MAR-TRE-4b834d9a-49
0.283
ANT-DIA-3c79be55-4
0.283
MAR-TRE-2fd8122f-57
0.283
MAR-TRE-2fd8122f-78
0.283
MAK-UNK-ca11b4f7-2
0.282
LUK-UNK-02ef1050-1
0.282
MAR-TRE-2fd8122f-30
0.282
MAR-TRE-2fd8122f-62
0.282
BEN-DND-362d364a-11
0.282
MAR-TRE-4b834d9a-63
0.282
MED-UNK-e6e8ef8a-7
0.281
MED-UNK-e6e8ef8a-5
0.281
PET-UNK-ac320b15-4
0.281
PET-UNK-ac320b15-3
0.281
MAR-TRE-04c86cea-46
0.280
DAR-DIA-842b4336-2
0.280
MAK-UNK-ca11b4f7-1
0.279
JOH-IMS-62aeb97d-5
0.279
EMI-TUK-a58865cc-6
0.279
MED-UNK-e6e8ef8a-2
0.278
MED-UNK-e6e8ef8a-3
0.278
FRA-FAC-9ed5a63a-2
0.278
MAR-TRE-2fd8122f-87
0.278
MAR-TRE-2fd8122f-7
0.278
KEI-TRE-d5e2018a-36
0.278
MAR-TRE-3e4e6814-61
0.278
JOH-IMS-62aeb97d-4
0.277
ALE-HEI-f28a35b5-16
0.277