Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1N(CCN1CCC(O)CC1)C(=O)Nc1cccnc1 |
MW: | 409.494 |
Fraction sp3: | 0.43 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 117.41 |
cLogP: | 2.27528 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
JOR-UNI-61e7b1d5-29
0.809
JOR-UNI-61e7b1d5-31
0.800
JOR-UNI-61e7b1d5-27
0.800
JOR-UNI-61e7b1d5-17
0.783
JOR-UNI-61e7b1d5-6
0.750
JOR-UNI-61e7b1d5-11
0.727
JOR-UNI-61e7b1d5-19
0.667
JOR-UNI-61e7b1d5-8
0.663
JOR-UNI-61e7b1d5-23
0.653
JOR-UNI-61e7b1d5-15
0.633
JOR-UNI-61e7b1d5-13
0.622
JOR-UNI-61e7b1d5-21
0.619
JOR-UNI-61e7b1d5-4
0.616
JOR-UNI-61e7b1d5-24
0.592
JOR-UNI-2fc98d0b-13
0.520
JOR-UNI-61e7b1d5-5
0.495
JOR-UNI-61e7b1d5-28
0.467
JOR-UNI-61e7b1d5-26
0.462
JOR-UNI-61e7b1d5-30
0.453
JOR-UNI-61e7b1d5-16
0.444
JOR-UNI-2fc98d0b-15
0.439
JOR-UNI-61e7b1d5-22
0.431
JOR-UNI-2fc98d0b-3
0.429
JOR-UNI-61e7b1d5-1
0.424
JOR-UNI-61e7b1d5-9
0.417
JOR-UNI-61e7b1d5-10
0.417
JOR-UNI-61e7b1d5-14
0.413
JOR-UNI-2fc98d0b-10
0.407
JOR-UNI-61e7b1d5-12
0.404
JOR-UNI-2fc98d0b-11
0.402
JOR-UNI-61e7b1d5-20
0.398
PET-SGC-39d74636-2
0.396
JAN-UNI-2e92c4b1-3
0.396
JOR-UNI-61e7b1d5-18
0.394
JOR-UNI-2fc98d0b-17
0.389
JOR-UNI-61e7b1d5-3
0.387
JOR-UNI-2fc98d0b-6
0.382
JOR-UNI-61e7b1d5-7
0.377
JOR-UNI-2fc98d0b-14
0.369
DUN-NEW-f8ce3686-17
0.367
JOR-UNI-2fc98d0b-9
0.359
JOR-UNI-2fc98d0b-8
0.352
JOR-UNI-2fc98d0b-5
0.351
JOR-UNI-2fc98d0b-4
0.351
ASH-UNK-40b46b30-9
0.350
JOR-UNI-2fc98d0b-12
0.342
WAR-XCH-eb7b662f-1
0.340
ANN-UNI-26382800-4
0.340
DAR-DIA-23aa0b97-5
0.340
JOR-UNI-61e7b1d5-2
0.340
GAB-REV-df64cf17-10
0.339
JOR-UNI-2fc98d0b-16
0.333
CHR-SOS-363cfb78-1
0.330
MAK-UNK-30aad1f1-6
0.327
JOR-UNI-2fc98d0b-1
0.327
ANN-UNI-26382800-5
0.327
ANN-UNI-26382800-3
0.326
JOH-UNK-14e6adc5-2
0.326
BEN-DND-362d364a-11
0.324
ERI-UCB-ce40166b-23
0.324
DOU-UNK-b5326f8f-19
0.321
WIL-UNI-5578df48-30
0.321
SAD-SAT-135344c3-9
0.321
DUN-NEW-f8ce3686-16
0.321
ASH-UNK-40b46b30-3
0.317
PET-SGC-0f1d26ed-1
0.317
MAK-UNK-30aad1f1-7
0.315
JOR-UNI-2fc98d0b-2
0.315
WIL-UNI-5578df48-3
0.314
DAR-DIA-23aa0b97-17
0.314
MAK-UNK-51bb34f9-1
0.312
NIR-THE-0d6461ce-6
0.312
GAB-REV-df64cf17-17
0.311
MAK-UNK-51bb34f9-3
0.310
MAK-UNK-30aad1f1-8
0.309
MAK-UNK-30aad1f1-12
0.308
EMI-TUK-a58865cc-5
0.308
WIL-UNI-5578df48-19
0.308
MAK-UNK-51bb34f9-2
0.305
ANT-DIA-3c79be55-5
0.305
WAR-XCH-eb7b662f-2
0.304
SAD-SAT-cefd50cc-10
0.303
TRY-UNI-9f475305-1
0.303
DAR-DIA-842b4336-2
0.302
EMI-TUK-a58865cc-7
0.302
MAR-TRE-2fd8122f-30
0.301
BAR-COM-5694a99d-1
0.300
MAR-TRE-7f7bb9f0-30
0.299
EMI-TUK-a58865cc-6
0.299
JAN-GHE-fd8d85a5-5
0.299
ALE-HEI-f28a35b5-16
0.299
BEN-VAN-ed886787-13
0.298
MAK-UNK-ec98eaf6-37
0.298
WAR-XCH-6eb0722e-1
0.298
JAN-GHE-fd8d85a5-1
0.298
WIL-UNI-5578df48-4
0.298
SAD-SAT-f25ee457-3
0.298
MAR-UNI-9d4da90d-6
0.297
DAR-DIA-842b4336-9
0.297
EMI-TUK-a58865cc-4
0.296