Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1ccc(-c2nnc(CN3CCC=C(F)C3)s2)nc1 |
MW: | 410.478 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 83.04 |
cLogP: | 4.3032 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-ae34c249-4
0.612
MAK-UNK-ae34c249-7
0.600
MAK-UNK-ae34c249-2
0.539
MAK-UNK-ae34c249-1
0.519
MAK-UNK-8145c7a0-2
0.436
MAK-UNK-8145c7a0-10
0.433
MAK-UNK-8145c7a0-1
0.426
MAK-UNK-8145c7a0-8
0.417
MAK-UNK-8145c7a0-12
0.412
MAK-UNK-8145c7a0-11
0.407
AAR-POS-d2a4d1df-8
0.405
MAK-UNK-8145c7a0-9
0.404
MAK-UNK-129dcd6f-8
0.367
MAK-UNK-30aad1f1-2
0.333
MAK-UNK-30aad1f1-17
0.333
MAK-UNK-37f1d6fa-2
0.321
AAR-POS-d2a4d1df-11
0.318
MAK-UNK-de8f6d00-8
0.308
SID-ELM-b654bfa2-2
0.305
SID-ELM-b654bfa2-3
0.302
MAK-UNK-129dcd6f-17
0.301
SID-ELM-8b394441-7
0.299
MAK-UNK-8145c7a0-3
0.297
SID-ELM-8b394441-1
0.297
NAU-LAT-2fed8305-4
0.295
SID-ELM-2583a2cd-7
0.293
SID-ELM-b654bfa2-5
0.290
SID-ELM-8b394441-12
0.287
SID-ELM-b654bfa2-4
0.287
SID-ELM-2583a2cd-6
0.286
CAS-DEP-e179b1f5-2
0.284
MAK-UNK-30aad1f1-3
0.283
SID-ELM-b654bfa2-1
0.281
MEV-UNK-0bf23af6-1
0.281
SID-ELM-b654bfa2-19
0.280
SID-ELM-b654bfa2-6
0.280
SID-ELM-8b394441-6
0.278
SID-ELM-2583a2cd-5
0.275
SID-ELM-b654bfa2-17
0.275
SID-ELM-b654bfa2-18
0.275
SID-ELM-b654bfa2-22
0.272
SID-ELM-2583a2cd-14
0.270
WIL-UNI-5578df48-16
0.269
SID-ELM-2583a2cd-9
0.267
MAK-UNK-37f1d6fa-3
0.267
ALE-HEI-f28a35b5-1
0.266
TRY-UNI-714a760b-4
0.266
MAK-UNK-8145c7a0-5
0.265
SID-ELM-b654bfa2-7
0.265
SID-ELM-8b394441-11
0.265
HAN-NEW-5f56c3bc-1
0.263
PET-SGC-0f1d26ed-1
0.262
MAK-UNK-8145c7a0-6
0.261
TRY-UNI-714a760b-8
0.260
MAK-UNK-de8f6d00-7
0.258
WAR-XCH-79d12f6e-3
0.258
SID-ELM-8b394441-5
0.258
PET-SGC-0f1d26ed-2
0.257
SID-ELM-2583a2cd-11
0.257
SID-ELM-2583a2cd-17
0.257
SID-ELM-2583a2cd-22
0.257
WIL-UNI-5578df48-12
0.257
SID-ELM-8b394441-3
0.255
SID-ELM-8b394441-13
0.255
SID-ELM-2583a2cd-20
0.255
DAR-DIA-03336633-11
0.254
MAK-UNK-30aad1f1-16
0.252
MAK-UNK-37f1d6fa-7
0.252
MAR-TRE-9d18ae8c-52
0.250
AAR-UNI-c25c2f1e-79
0.250
SID-ELM-8b394441-9
0.250
MAK-UNK-37f1d6fa-4
0.248
MAK-UNK-8145c7a0-7
0.248
WIL-UNI-5578df48-7
0.248
JAG-SYN-9c2cd0bd-6
0.248
WIL-LEE-23e8b574-6
0.247
MAK-UNK-8145c7a0-4
0.246
MAK-UNK-30aad1f1-4
0.246
MAK-UNK-129dcd6f-1
0.245
ROD-LAS-d5538ff9-9
0.245
WIL-UNI-5578df48-15
0.245
WIL-UNI-5578df48-11
0.245
SID-ELM-2583a2cd-8
0.245
SID-ELM-2583a2cd-10
0.245
MAX-MCD-16e3709a-1
0.244
MAK-UNK-de8f6d00-3
0.244
WIL-UNI-5578df48-9
0.243
MAK-UNK-129dcd6f-15
0.243
AAR-UNI-c25c2f1e-65
0.243
BRU-UNI-418e22dc-2
0.242
MAK-UNK-de8f6d00-1
0.242
MAK-UNK-30aad1f1-7
0.241
WIL-UNI-5578df48-18
0.241
SID-ELM-8b394441-14
0.240
SID-ELM-8b394441-15
0.240
WIL-UNI-5578df48-10
0.240
MAK-UNK-129dcd6f-6
0.240
TAT-ENA-80bfd3e5-23
0.240
ANN-UNI-26382800-3
0.240
JOH-UNK-14e6adc5-2
0.240