Molecular Properties | |
SMILES: | O=C1N(c2ccccc2)CCCN1c1cccnc1 |
MW: | 253.305 |
Fraction sp3: | 0.2 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 36.44 |
cLogP: | 2.9183 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
DAR-DIA-5d6f1b43-31
DAR-DIA-5d6f1b43-30
DAR-DIA-5d6f1b43-26
DAR-DIA-5d6f1b43-25
DAR-DIA-5d6f1b43-23
DAR-DIA-5d6f1b43-22
DAR-DIA-5d6f1b43-20
DAR-DIA-5d6f1b43-19
DAR-DIA-5d6f1b43-18
DAR-DIA-5d6f1b43-17
DAR-DIA-5d6f1b43-12
DAR-DIA-5d6f1b43-10
DAR-DIA-5d6f1b43-9
DAR-DIA-5d6f1b43-8
DAR-DIA-5d6f1b43-7
DAR-DIA-5d6f1b43-6
DAR-DIA-5d6f1b43-4
DAR-DIA-5d6f1b43-3
DAR-DIA-5d6f1b43-2
DAR-DIA-5d6f1b43-1
DAR-DIA-5d6f1b43-29
DAR-DIA-5d6f1b43-15
DAR-DIA-5d6f1b43-33
DAR-DIA-5d6f1b43-32
DAR-DIA-5d6f1b43-28
DAR-DIA-5d6f1b43-27
DAR-DIA-5d6f1b43-24
DAR-DIA-5d6f1b43-21
DAR-DIA-5d6f1b43-16
DAR-DIA-5d6f1b43-14
DAR-DIA-5d6f1b43-13
DAR-DIA-5d6f1b43-11
DAR-DIA-5d6f1b43-5
DAR-DIA-fc970077-10
0.870
DAR-DIA-fc970077-1
0.766
DAR-DIA-fc970077-11
0.500
DAR-DIA-fc970077-7
0.469
SIM-SYN-a98e6a07-6
0.459
DAR-DIA-fc970077-5
0.459
SIM-SYN-a98e6a07-5
0.438
DAR-DIA-fc970077-12
0.409
DAR-DIA-fc970077-8
0.403
DAR-DIA-fc970077-2
0.400
DAR-DIA-fc970077-3
0.397
KEN-MCD-4729dc98-1
0.393
DAR-DIA-fc970077-4
0.388
EMI-TUK-6c6b371f-1
0.386
EMI-TUK-b780fc43-1
0.386
RAI-NOV-c18e0037-7
0.364
RAI-NOV-c18e0037-6
0.364
MAR-TRE-9c797165-66
0.360
PET-UNK-4dc48bbe-2
0.333
MAR-TRE-9c797165-7
0.325
RAI-NOV-c18e0037-4
0.324
ERI-UCB-ce40166b-24
0.321
RAI-NOV-c18e0037-1
0.316
MAK-UNK-9e4a73aa-11
0.307
NIM-UNI-7f77122c-1
0.304
MAK-UNK-9e4a73aa-10
0.303
PET-UNK-7be94445-1
0.300
ZAC-MCD-b48cf8fd-1
0.296
MAK-UNK-9e4a73aa-22
0.295
RAI-NOV-c18e0037-2
0.295
MAK-UNK-9e4a73aa-27
0.295
MAK-UNK-9e4a73aa-23
0.295
MAK-UNK-9e4a73aa-26
0.295
MAK-UNK-9e4a73aa-25
0.295
MAK-UNK-9e4a73aa-24
0.295
MAK-UNK-9e4a73aa-35
0.293
JAN-GHE-d851b096-5
0.291
MAK-UNK-9e4a73aa-12
0.291
MAR-TRE-74c6519b-18
0.290
MAR-TRE-74c6519b-26
0.290
MAK-UNK-9e4a73aa-36
0.289
MAK-UNK-9e4a73aa-7
0.287
MAK-UNK-9e4a73aa-8
0.287
MAK-UNK-9e4a73aa-21
0.287
MAK-UNK-9e4a73aa-20
0.284
NIM-UNI-0ea3b7bf-4
0.284
ERI-UCB-ce40166b-22
0.278
CHR-SOS-59746812-1
0.276
NIM-UNI-36e12f95-2
0.276
MAR-TRE-04c86cea-13
0.275
KTA-UNK-dac325de-1
0.274
PET-UNK-4dc48bbe-9
0.274
NIM-UNI-36e12f95-1
0.273
CHR-SOS-59746812-5
0.273
NIM-UNI-0ea3b7bf-5
0.270
SAN-PRI-c9355cc8-2
0.268
PET-UNK-4dc48bbe-5
0.267
MAR-TRE-2fd8122f-39
0.265
MAK-UNK-9e4a73aa-9
0.263
UNK-UNK-2ede4078-12
0.263
MAK-UNK-9e4a73aa-3
0.262
RAI-NOV-c18e0037-5
0.262
JAG-UCB-cedd89ab-1
0.260
PET-UNK-4dc48bbe-7
0.260
WIL-UNI-5578df48-2
0.258
PET-UNK-7a31b064-5
0.256
KEI-TRE-d5e2018a-15
0.256
MAR-TRE-7f7bb9f0-18
0.256
SAN-PRS-52b81272-3
0.254
SEL-UNI-8426c22c-4
0.253
MAR-TRE-04c86cea-46
0.253
BEN-DND-031a96cc-3
0.253
BEN-DND-031a96cc-1
0.253
BEN-DND-031a96cc-2
0.250
MAR-TRE-2fd8122f-47
0.250
PET-UNK-4dc48bbe-1
0.250
PET-UNK-4dc48bbe-3
0.250
AAR-POS-d2a4d1df-11
0.250
ASH-UNK-40b46b30-9
0.250
PET-UNK-7a31b064-6
0.250
KEI-TRE-d5e2018a-38
0.247
MAK-UNK-9e4a73aa-2
0.247
MAK-UNK-9e4a73aa-18
0.247
NIM-UNI-7f77122c-2
0.245
MAK-UNK-9e4a73aa-17
0.244
MAR-TRE-d0525fbf-90
0.244
WIL-UNI-5578df48-6
0.243
LON-WEI-b2874fec-25
0.241
MAR-TRE-f6f5f473-31
0.241
MAR-TRE-4b834d9a-49
0.241
PET-UNK-94460c07-6
0.241
MAK-UNK-9e4a73aa-14
0.241
PEI-IMP-ca0b2813-4
0.241
PET-UNK-94460c07-5
0.241
EDJ-MED-e66f2cc5-2
0.241
NIM-UNI-36e12f95-3
0.241
MAK-UNK-2c1752f0-3
0.240
WIL-UNI-5578df48-1
0.240
JAN-GHE-83b26c96-18
0.240
MAR-TRE-9c797165-80
0.240