Molecular Properties | |
SMILES: | N=C(N)c1cccc(N(C(=O)Nc2cccnc2)c2ccccc2)c1 |
MW: | 331.379 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 95.1 |
cLogP: | 3.73587 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
imine
acyclic C=N-H
Imine 3
EMI-TUK-a58865cc-3
0.754
WIL-UNI-5578df48-2
0.650
EMI-TUK-a58865cc-2
0.603
WIL-UNI-5578df48-1
0.557
MAK-UNK-f0bfc2e0-1
0.519
WIL-UNI-5578df48-6
0.493
EMI-TUK-a58865cc-7
0.474
BEN-BAS-3b12fa42-1
0.461
EMI-TUK-a58865cc-6
0.450
ASH-UNK-40b46b30-3
0.443
WIL-UNI-5578df48-3
0.442
ASH-UNK-40b46b30-1
0.435
JOR-UNI-2fc98d0b-2
0.434
EMI-TUK-a58865cc-5
0.430
WIL-UNI-5578df48-33
0.427
WIL-UNI-5578df48-4
0.418
JOR-UNI-61e7b1d5-7
0.414
EMI-TUK-a58865cc-4
0.410
ERI-UCB-ce40166b-23
0.409
BEN-BAS-e0d85f98-1
0.400
ASH-UNK-40b46b30-9
0.398
WIL-UNI-5578df48-7
0.392
AAR-POS-d2a4d1df-11
0.391
KEI-TRE-d5e2018a-81
0.390
JOR-UNI-2fc98d0b-8
0.384
IAN-BAS-0ac8c25d-1
0.383
MAR-TRE-4b834d9a-16
0.379
KEI-TRE-d5e2018a-7
0.379
WIL-UNI-5578df48-5
0.378
SAM-UNK-2684b532-2
0.372
SAN-PRS-52b81272-2
0.370
JOR-UNI-61e7b1d5-9
0.367
WIL-UNI-5578df48-20
0.360
KAY-MCD-59dc2eb3-1
0.359
JOR-UNI-2fc98d0b-16
0.359
MAR-TRE-67513f76-81
0.358
JOR-UNI-2fc98d0b-14
0.358
AUS-ARG-7cfdce8f-11
0.355
DAR-DIA-fc970077-9
0.355
JOR-UNI-2fc98d0b-12
0.355
DAR-DIA-fc970077-14
0.354
CHR-SOS-f7373dd1-4
0.354
BAR-COM-21d20d65-8
0.352
BAR-COM-21d20d65-9
0.352
SAN-PRS-52b81272-3
0.351
JOR-UNI-2fc98d0b-1
0.351
JOR-UNI-2fc98d0b-3
0.351
JOR-UNI-2fc98d0b-4
0.351
JOR-UNI-2fc98d0b-5
0.351
JOR-UNI-2fc98d0b-11
0.351
JOR-UNI-2fc98d0b-17
0.351
CHR-SOS-7098f804-12
0.351
SAD-SAT-689b7d5a-4
0.349
MAR-TRE-04c86cea-97
0.349
CHR-SOS-7098f804-18
0.349
JOH-IMS-62aeb97d-5
0.348
MAK-UNK-ca11b4f7-1
0.348
JOR-UNI-61e7b1d5-20
0.347
WAR-XCH-eb7b662f-3
0.347
DAR-DIA-23aa0b97-16
0.346
WIL-UNI-5578df48-8
0.346
CHR-SOS-f7373dd1-1
0.345
WIL-UNI-5578df48-14
0.345
KEI-TRE-d5e2018a-71
0.344
JOR-UNI-2fc98d0b-6
0.344
JOR-UNI-2fc98d0b-10
0.344
JOR-UNI-61e7b1d5-18
0.344
JOR-UNI-2fc98d0b-13
0.344
JOR-UNI-61e7b1d5-22
0.343
DAR-DIA-23aa0b97-15
0.342
CHR-SOS-70e4c98a-6
0.341
IAN-BAS-df1706d7-1
0.341
NAU-LAT-64f4b287-10
0.341
MAR-TRE-f6f5f473-29
0.341
KEI-TRE-d5e2018a-28
0.341
JOR-UNI-61e7b1d5-12
0.340
ALE-HEI-f28a35b5-14
0.338
ALE-HEI-f28a35b5-15
0.338
DAR-DIA-23aa0b97-14
0.338
JOR-UNI-2fc98d0b-7
0.338
JAN-GHE-83b26c96-19
0.338
WAR-XCH-eb7b662f-6
0.338
WAR-XCH-eb7b662f-7
0.338
MAR-TRE-74c6519b-47
0.337
MAK-UNK-d1e89583-9
0.337
WIL-UNI-5578df48-28
0.337
BAR-COM-21d20d65-4
0.337
WIL-UNI-5578df48-24
0.337
KEI-TRE-d5e2018a-24
0.337
JOR-UNI-2fc98d0b-15
0.337
JOR-UNI-61e7b1d5-5
0.337
JOR-UNI-61e7b1d5-3
0.337
JOR-UNI-61e7b1d5-14
0.337
JOR-UNI-61e7b1d5-28
0.337
JOR-UNI-61e7b1d5-30
0.337
CHR-SOS-70e4c98a-8
0.333
WIL-UNI-5578df48-26
0.333
JOR-UNI-61e7b1d5-26
0.333
MAC-MCD-76766525-1
0.333
KEI-TRE-d5e2018a-64
0.333