Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)N(c1ccccc1)N1CCC(O)CC1 |
MW: | 312.16 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 68.7 |
cLogP: | 2.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
Hetero_hetero
WIL-UNI-5578df48-2
0.516
JOR-UNI-2fc98d0b-3
0.453
WIL-UNI-5578df48-1
0.446
JOR-UNI-2fc98d0b-13
0.443
EMI-TUK-a58865cc-3
0.436
WIL-UNI-5578df48-3
0.434
WIL-UNI-5578df48-4
0.429
EMI-TUK-a58865cc-5
0.423
EMI-TUK-a58865cc-2
0.420
ASH-UNK-40b46b30-3
0.418
JOR-UNI-61e7b1d5-5
0.418
EMI-TUK-a58865cc-7
0.412
JOR-UNI-61e7b1d5-24
0.409
EMI-TUK-a58865cc-6
0.407
MAK-UNK-f0bfc2e0-1
0.402
EMI-TUK-a58865cc-4
0.402
ANT-DIA-3c79be55-5
0.400
EMI-TUK-a58865cc-1
0.398
JOR-UNI-2fc98d0b-14
0.396
JOR-UNI-2fc98d0b-8
0.393
BEN-DND-362d364a-11
0.386
DAR-DIA-fc970077-9
0.384
WIL-UNI-5578df48-6
0.384
AAR-POS-d2a4d1df-11
0.382
DUN-NEW-f8ce3686-17
0.378
JOH-IMS-62aeb97d-3
0.373
JOR-UNI-2fc98d0b-15
0.372
ERI-UCB-ce40166b-23
0.371
SIM-SYN-a98e6a07-2
0.369
CHR-SOS-70e4c98a-6
0.367
DOU-UNK-b5326f8f-19
0.367
JOR-UNI-2fc98d0b-16
0.367
KEI-TRE-d5e2018a-81
0.366
JOR-UNI-61e7b1d5-22
0.365
JOR-UNI-2fc98d0b-12
0.363
CHR-SOS-f7373dd1-4
0.362
SAN-PRS-52b81272-2
0.361
SAN-PRS-52b81272-3
0.361
JOR-UNI-61e7b1d5-6
0.360
JOR-UNI-61e7b1d5-9
0.360
JOR-UNI-2fc98d0b-4
0.359
JOR-UNI-2fc98d0b-11
0.359
JOR-UNI-2fc98d0b-17
0.359
JOR-UNI-2fc98d0b-1
0.359
JOR-UNI-2fc98d0b-5
0.359
CHR-SOS-70e4c98a-8
0.358
MIK-MCD-9143301b-1
0.357
MAR-TRE-04c86cea-46
0.356
WIL-UNI-5578df48-8
0.354
MAR-TRE-f6f5f473-84
0.354
CHR-SOS-f7373dd1-1
0.354
CHR-SOS-7098f804-14
0.354
KAY-MCD-59dc2eb3-1
0.353
MAR-TRE-2fd8122f-90
0.353
DUN-NEW-f8ce3686-16
0.352
DAR-DIA-842b4336-2
0.351
JOR-UNI-2fc98d0b-10
0.351
JOR-UNI-2fc98d0b-6
0.351
MED-UNK-e6e8ef8a-5
0.351
FRA-FAC-9ed5a63a-3
0.351
JOR-UNI-61e7b1d5-25
0.350
NAU-LAT-64f4b287-10
0.349
CHR-SOS-70e4c98a-3
0.349
MAR-TRE-67513f76-81
0.348
BEN-BAS-e0d85f98-1
0.348
BEN-BAS-3b12fa42-1
0.347
AUS-ARG-7cfdce8f-11
0.347
JOH-IMS-62aeb97d-4
0.347
ALE-HEI-f28a35b5-16
0.347
MED-UNK-e6e8ef8a-2
0.346
FRA-FAC-9ed5a63a-2
0.346
LON-WEI-120e5cf5-11
0.346
JOR-UNI-2fc98d0b-2
0.345
KEI-TRE-d5e2018a-38
0.344
MAK-UNK-ca11b4f7-3
0.343
MAK-UNK-ca11b4f7-2
0.343
ALE-HEI-f28a35b5-8
0.342
CHR-SOS-70e4c98a-1
0.341
JOR-UNI-61e7b1d5-20
0.340
MAR-TRE-2fd8122f-16
0.340
MAK-UNK-ca11b4f7-1
0.338
JOH-IMS-62aeb97d-5
0.338
JOH-IMS-62aeb97d-1
0.338
AAR-POS-d2a4d1df-13
0.338
ALE-HEI-f28a35b5-9
0.338
FRA-FAC-9ed5a63a-1
0.338
MAR-TRE-9c797165-80
0.338
SAD-SAT-689b7d5a-9
0.338
MIC-SGC-657978c3-8
0.338
MAR-TRE-2fd8122f-81
0.338
MAR-TRE-d0525fbf-90
0.337
ADA-UNI-f8e79267-6
0.337
MIC-SGC-657978c3-7
0.337
JOR-UNI-61e7b1d5-18
0.337
MAR-TRE-7f7bb9f0-33
0.333
MAR-TRE-74c6519b-51
0.333
MED-UNK-e6e8ef8a-1
0.333
MED-UNK-e6e8ef8a-7
0.333
WIL-UNI-5578df48-7
0.333
ADA-UNI-f8e79267-4
0.333