Molecular Properties | |
SMILES: | CC1CCN(CN(C(=O)Nc2cccnc2)c2cccc(C#N)c2)CC1 |
MW: | 349.438 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 72.26 |
cLogP: | 3.68118 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
acyclic N-C-N
JOR-UNI-61e7b1d5-5
0.825
JOR-UNI-61e7b1d5-14
0.759
JOR-UNI-61e7b1d5-12
0.747
JOR-UNI-61e7b1d5-3
0.738
JOR-UNI-2fc98d0b-14
0.714
JOR-UNI-61e7b1d5-24
0.626
JOR-UNI-61e7b1d5-9
0.624
JOR-UNI-61e7b1d5-28
0.604
JOR-UNI-61e7b1d5-20
0.589
JOR-UNI-61e7b1d5-23
0.588
JOR-UNI-61e7b1d5-30
0.587
JOR-UNI-61e7b1d5-7
0.586
JOR-UNI-61e7b1d5-18
0.582
JOR-UNI-61e7b1d5-26
0.581
JOR-UNI-2fc98d0b-3
0.578
JOR-UNI-61e7b1d5-16
0.574
JOR-UNI-2fc98d0b-15
0.537
JOR-UNI-61e7b1d5-10
0.535
JOR-UNI-2fc98d0b-4
0.527
JOR-UNI-2fc98d0b-5
0.527
JOR-UNI-2fc98d0b-16
0.522
JOR-UNI-2fc98d0b-1
0.511
JOR-UNI-61e7b1d5-6
0.485
JOR-UNI-2fc98d0b-13
0.440
JOR-UNI-61e7b1d5-13
0.438
JOR-UNI-61e7b1d5-4
0.434
JOR-UNI-61e7b1d5-15
0.434
JOR-UNI-61e7b1d5-25
0.431
JOR-UNI-2fc98d0b-8
0.426
JOR-UNI-2fc98d0b-11
0.420
JOR-UNI-2fc98d0b-10
0.412
JOR-UNI-2fc98d0b-12
0.410
JOR-UNI-2fc98d0b-17
0.406
JOR-UNI-61e7b1d5-29
0.404
JOR-UNI-61e7b1d5-31
0.400
JOR-UNI-61e7b1d5-27
0.400
ANN-UNI-26382800-5
0.400
JOR-UNI-2fc98d0b-6
0.398
JOR-UNI-2fc98d0b-2
0.396
JOR-UNI-61e7b1d5-19
0.394
JOR-UNI-61e7b1d5-17
0.393
JOR-UNI-61e7b1d5-21
0.393
ANN-UNI-26382800-4
0.386
WAR-XCH-eb7b662f-1
0.386
DAR-DIA-23aa0b97-5
0.386
JOR-UNI-61e7b1d5-2
0.386
EMI-TUK-a58865cc-5
0.376
ERI-UCB-ce40166b-23
0.376
WIL-UNI-5578df48-2
0.373
JOR-UNI-2fc98d0b-9
0.373
ASH-UNK-40b46b30-3
0.372
MED-UNK-e6e8ef8a-3
0.371
JOR-UNI-61e7b1d5-11
0.370
WIL-UNI-5578df48-3
0.370
EMI-TUK-a58865cc-7
0.368
JOR-UNI-61e7b1d5-8
0.368
ASH-UNK-40b46b30-9
0.365
EMI-TUK-a58865cc-4
0.361
EMI-TUK-a58865cc-3
0.358
WIL-UNI-5578df48-4
0.351
EMI-TUK-a58865cc-6
0.351
WIL-UNI-5578df48-1
0.348
KAY-MCD-59dc2eb3-1
0.348
CHR-SOS-363cfb78-1
0.344
EMI-TUK-a58865cc-1
0.343
DUN-NEW-f8ce3686-17
0.343
DAR-DIA-23aa0b97-17
0.340
WIL-UNI-5578df48-33
0.340
GAB-REV-70cc3ca5-19
0.337
MAC-MCD-76766525-1
0.336
EMI-TUK-a58865cc-2
0.333
MED-UNK-e6e8ef8a-4
0.333
MAK-UNK-f0bfc2e0-1
0.333
ASH-UNK-40b46b30-1
0.330
JOR-UNI-61e7b1d5-1
0.330
DAR-DIA-23aa0b97-4
0.330
JOH-UNK-14e6adc5-2
0.326
ANN-UNI-26382800-3
0.326
WAR-XCH-bdd24732-9
0.321
MIC-UNK-2744a8e2-13
0.321
MIC-UNK-1e397c67-1
0.321
SAD-SAT-135344c3-9
0.321
WAR-XCH-6eb0722e-1
0.321
FRA-FAC-9ed5a63a-1
0.319
AAR-POS-d2a4d1df-13
0.319
ALE-HEI-f28a35b5-9
0.319
MAR-TRE-7f7bb9f0-33
0.317
MAR-TRE-2fd8122f-57
0.316
WAR-XCH-eb7b662f-2
0.316
JAG-UCB-1d922829-5
0.314
MAR-TRE-67513f76-73
0.312
JAN-UNI-2e92c4b1-2
0.312
FRA-FAC-9ed5a63a-2
0.312
MED-UNK-e6e8ef8a-2
0.312
BEN-DND-362d364a-11
0.311
MAR-TRE-2fd8122f-30
0.311
MAR-TRE-2fd8122f-69
0.309
MAR-TRE-7f7bb9f0-30
0.309
MIC-UNK-2744a8e2-3
0.309
WAR-XCH-6eb0722e-3
0.309