Molecular Properties | |
SMILES: | CN(C)c1cncc(NC(=O)Nc2ccccc2)c1 |
MW: | 256.309 |
Fraction sp3: | 0.14 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 57.26 |
cLogP: | 2.7916 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | s_2430____12367830____4862808 |
Enamine Extended REAL: | s_2430____12367830____4862808 |
SID-ELM-2583a2cd-6
0.623
SID-ELM-2583a2cd-5
0.574
SID-ELM-b654bfa2-3
0.516
SID-ELM-8b394441-7
0.508
AAR-POS-d2a4d1df-11
0.500
MAK-UNK-129dcd6f-7
0.444
MAK-UNK-129dcd6f-16
0.438
SID-ELM-8b394441-6
0.431
MAK-UNK-30aad1f1-16
0.431
TRY-UNI-714a760b-8
0.429
TRY-UNI-714a760b-4
0.419
ALE-HEI-f28a35b5-1
0.419
MAK-UNK-30aad1f1-3
0.419
SID-ELM-2583a2cd-15
0.418
HAN-NEW-5f56c3bc-1
0.413
SID-ELM-b654bfa2-2
0.409
SID-ELM-2583a2cd-11
0.391
SID-ELM-2583a2cd-14
0.391
MAK-UNK-129dcd6f-6
0.388
WIL-UNI-5578df48-10
0.388
MAX-MCD-16e3709a-1
0.382
SID-ELM-8b394441-1
0.381
SID-ELM-8b394441-5
0.379
DAR-DIA-fc970077-9
0.375
SID-ELM-b654bfa2-1
0.373
SID-ELM-2583a2cd-10
0.371
SID-ELM-2583a2cd-17
0.371
SID-ELM-2583a2cd-8
0.371
MAR-TRE-9d18ae8c-52
0.368
SID-ELM-2583a2cd-20
0.366
SID-ELM-2583a2cd-9
0.366
SID-ELM-8b394441-3
0.359
DAR-DIA-23aa0b97-15
0.359
CHR-SOS-363cfb78-1
0.358
PET-SGC-0f1d26ed-1
0.356
MAK-UNK-129dcd6f-8
0.355
MAK-UNK-129dcd6f-17
0.355
WIL-UNI-5578df48-6
0.354
WIL-UNI-5578df48-12
0.352
PET-SGC-0f1d26ed-2
0.352
WIL-UNI-5578df48-11
0.352
AAR-UNI-c25c2f1e-40
0.352
SID-ELM-2583a2cd-22
0.352
AAR-UNI-c25c2f1e-65
0.347
MAK-UNK-30aad1f1-17
0.347
MAK-UNK-37f1d6fa-3
0.344
AAR-UNI-c25c2f1e-31
0.342
SID-ELM-b654bfa2-7
0.342
SID-ELM-8b394441-15
0.342
MAK-UNK-129dcd6f-15
0.342
GIA-UNK-3f36037a-7
0.339
DAR-DIA-23aa0b97-13
0.338
TAT-ENA-80bfd3e5-23
0.333
WIL-UNI-5578df48-2
0.333
SID-ELM-b654bfa2-22
0.333
SID-ELM-8b394441-8
0.333
MAK-UNK-de8f6d00-7
0.330
MAK-UNK-30aad1f1-2
0.329
ROD-LAS-d5538ff9-9
0.329
SID-ELM-b654bfa2-6
0.329
SID-ELM-b654bfa2-19
0.329
SID-ELM-8b394441-13
0.329
WES-WAB-2b40d25a-1
0.325
WIL-UNI-5578df48-13
0.325
MAK-UNK-129dcd6f-1
0.325
WES-WAB-6f418dc2-1
0.325
WIL-UNI-5578df48-9
0.325
WIL-UNI-5578df48-5
0.324
SID-ELM-8b394441-14
0.324
WIL-UNI-5578df48-8
0.324
MAK-UNK-129dcd6f-18
0.321
SID-ELM-b654bfa2-4
0.320
SID-ELM-8b394441-9
0.320
SID-ELM-8b394441-10
0.320
SID-ELM-8b394441-12
0.320
SID-ELM-b654bfa2-17
0.320
SID-ELM-b654bfa2-18
0.320
DAR-DIA-23aa0b97-8
0.319
WIL-UNI-5578df48-7
0.319
WAR-XCH-79d12f6e-1
0.319
WAR-XCH-b0339bbe-12
0.319
DAR-DIA-fc970077-14
0.315
AAR-UNI-c25c2f1e-100
0.315
WAR-XCH-eb7b662f-6
0.313
ANN-UNI-26382800-3
0.313
JOH-UNK-14e6adc5-2
0.313
DAR-DIA-23aa0b97-9
0.313
JAN-LUN-8953ce76-1
0.312
JAN-LUN-8953ce76-7
0.312
JAN-LUN-3e0f9c09-4
0.312
SAD-SAT-6b5a89f0-8
0.309
BEN-BAS-26f6b627-1
0.309
JAN-LUN-3e0f9c09-2
0.308
WAR-XCH-b0339bbe-20
0.308
JAN-LUN-3e0f9c09-1
0.308
JAN-LUN-8953ce76-4
0.308
WAR-XCH-79d12f6e-10
0.308
JAN-LUN-8953ce76-6
0.308
SAN-PRS-52b81272-2
0.308
SAD-SAT-689b7d5a-5
0.308