Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1cnccc1Cc1ccccc1 |
MW: | 303.14 |
Fraction sp3: | 0.05 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 54.02 |
cLogP: | 4.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
ALE-HEI-f28a35b5-1
0.524
TRY-UNI-714a760b-4
0.524
RIT-AID-b8bd8251-1
0.520
WIL-UNI-5578df48-10
0.507
MAK-UNK-30aad1f1-4
0.506
DAR-DIA-03336633-1
0.488
HAN-NEW-5f56c3bc-3
0.488
MAK-UNK-129dcd6f-6
0.485
DAR-DIA-03336633-11
0.481
WIL-UNI-5578df48-12
0.465
AAR-POS-d2a4d1df-11
0.459
WIL-UNI-5578df48-9
0.447
MAK-UNK-129dcd6f-15
0.429
HAN-NEW-5f56c3bc-1
0.426
MAK-UNK-129dcd6f-1
0.425
SID-ELM-2583a2cd-22
0.425
SID-ELM-2583a2cd-17
0.425
TRY-UNI-714a760b-8
0.420
MAK-UNK-129dcd6f-18
0.420
SID-ELM-2583a2cd-20
0.419
SID-ELM-8b394441-3
0.418
WIL-UNI-5578df48-13
0.407
SID-ELM-2583a2cd-11
0.405
MAK-UNK-30aad1f1-15
0.402
MAK-UNK-129dcd6f-7
0.400
SID-ELM-8b394441-1
0.397
MAK-UNK-129dcd6f-8
0.388
MAK-UNK-129dcd6f-17
0.388
SID-ELM-2583a2cd-10
0.387
SID-ELM-2583a2cd-8
0.387
SID-ELM-b654bfa2-2
0.384
SID-ELM-8b394441-6
0.384
SID-ELM-2583a2cd-6
0.382
SID-ELM-2583a2cd-9
0.382
SID-ELM-b654bfa2-3
0.378
MAK-UNK-129dcd6f-16
0.378
WAR-XCH-b0339bbe-9
0.378
SID-ELM-8b394441-5
0.375
ANU-UNK-2781581f-2
0.373
PET-SGC-0f1d26ed-1
0.372
SID-ELM-b654bfa2-1
0.370
MAK-UNK-f203cb68-2
0.369
PET-SGC-0f1d26ed-2
0.368
SAN-PRS-52b81272-2
0.368
SID-ELM-2583a2cd-5
0.368
DAR-DIA-03336633-7
0.367
TRY-UNI-714a760b-5
0.366
MAK-UNK-de8f6d00-6
0.364
WIL-UNI-5578df48-26
0.362
SAD-SAT-7d5528d9-2
0.360
SID-ELM-8b394441-7
0.355
SID-ELM-2583a2cd-7
0.352
HAR-NEW-ca1d46ce-2
0.352
SID-ELM-8b394441-8
0.350
MAR-TRE-9d18ae8c-52
0.349
MAK-UNK-f2409524-35
0.349
DAR-DIA-03336633-9
0.348
DAR-DIA-03336633-15
0.347
DAR-DIA-03336633-8
0.344
DAR-DIA-03336633-3
0.344
MAK-UNK-37f1d6fa-4
0.343
WIL-UNI-5578df48-8
0.342
SAD-SAT-689b7d5a-5
0.341
DAR-DIA-03336633-10
0.341
GIA-UNK-3f36037a-7
0.338
MAR-TRE-e86a56b5-66
0.338
BEN-DND-93268d01-14
0.338
THO-SYG-cc9e9a11-5
0.337
NIC-UNI-0cb6411b-1
0.337
MAK-UNK-ae34c249-4
0.337
SID-ELM-2583a2cd-14
0.333
SID-ELM-b654bfa2-22
0.333
DAR-DIA-03336633-4
0.333
MAR-TRE-74c6519b-47
0.333
MAK-UNK-30aad1f1-3
0.329
AAR-UNI-c25c2f1e-65
0.329
SID-ELM-b654bfa2-6
0.329
JIA-UNI-12b1f9ae-1
0.329
MAK-UNK-d1e89583-4
0.329
SAD-SAT-24589cd1-8
0.325
CHR-SOS-59746812-1
0.325
TRY-UNI-714a760b-24
0.325
SID-ELM-8b394441-14
0.325
AAR-UNI-c25c2f1e-31
0.325
JAG-UCB-cedd89ab-8
0.325
TRY-UNI-714a760b-12
0.325
BEN-DND-031a96cc-8
0.324
MAK-UNK-30aad1f1-9
0.322
MAK-UNK-129dcd6f-5
0.321
NAU-LAT-445f63e5-6
0.321
SID-ELM-8b394441-9
0.321
CHR-SOS-59746812-5
0.321
CHA-KIN-ceadbd93-3
0.321
MAR-TRE-d0525fbf-91
0.321
HAR-NEW-ca1d46ce-1
0.320
THO-SYG-cc9e9a11-6
0.318
MAK-UNK-10dfa458-31
0.318
MAR-TRE-9d18ae8c-35
0.317
WIL-UNI-5578df48-3
0.316
WIL-UNI-5578df48-15
0.316