Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)N(CCc1ccccc1)c1cccc(Cl)c1 |
MW: | 351.11 |
Fraction sp3: | 0.1 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 45.23 |
cLogP: | 5.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOR-UNI-2fc98d0b-2
0.667
JOR-UNI-2fc98d0b-8
0.667
JOR-UNI-2fc98d0b-13
0.627
JOR-UNI-2fc98d0b-12
0.610
JOR-UNI-2fc98d0b-6
0.607
JOR-UNI-2fc98d0b-11
0.602
JOR-UNI-2fc98d0b-17
0.602
JOR-UNI-2fc98d0b-15
0.593
JOR-UNI-2fc98d0b-10
0.588
MIC-UNK-cdc2493e-3
0.581
JOR-UNI-2fc98d0b-9
0.560
JOR-UNI-2fc98d0b-1
0.547
JOR-UNI-2fc98d0b-16
0.541
JOR-UNI-2fc98d0b-3
0.529
JOR-UNI-2fc98d0b-4
0.529
JOR-UNI-2fc98d0b-5
0.529
WIL-UNI-5578df48-3
0.519
JOR-UNI-2fc98d0b-14
0.517
EMI-TUK-a58865cc-6
0.488
EMI-TUK-a58865cc-5
0.487
EMI-TUK-a58865cc-7
0.476
EDG-MED-0da5ad92-20
0.472
JOR-UNI-61e7b1d5-7
0.466
JOR-UNI-61e7b1d5-9
0.466
EMI-TUK-a58865cc-4
0.464
WIL-UNI-5578df48-2
0.458
JOR-UNI-61e7b1d5-24
0.448
JOR-UNI-61e7b1d5-18
0.436
EDG-MED-0da5ad92-2
0.436
JOR-UNI-61e7b1d5-16
0.433
ASH-UNK-40b46b30-3
0.429
JOR-UNI-61e7b1d5-28
0.427
JOR-UNI-61e7b1d5-30
0.427
JOR-UNI-61e7b1d5-26
0.423
WIL-UNI-5578df48-8
0.420
MIC-UNK-bcd487e9-1
0.415
EMI-TUK-a58865cc-2
0.414
EMI-TUK-a58865cc-3
0.412
EMI-TUK-a58865cc-1
0.409
KEI-TRE-d5e2018a-16
0.407
WIL-UNI-5578df48-4
0.405
KEI-TRE-d5e2018a-19
0.404
MIC-UNK-cdc2493e-16
0.404
JOR-UNI-61e7b1d5-10
0.404
WIL-UNI-5578df48-1
0.402
JOR-UNI-61e7b1d5-3
0.398
WAR-XCH-eb7b662f-7
0.397
DAR-DIA-23aa0b97-14
0.397
JAN-GHE-83b26c96-19
0.397
JOR-UNI-2fc98d0b-7
0.397
JOR-UNI-61e7b1d5-20
0.396
SAN-PRS-52b81272-2
0.395
CHR-SOS-7098f804-12
0.392
JOR-UNI-61e7b1d5-12
0.388
JOR-UNI-61e7b1d5-5
0.384
JOR-UNI-61e7b1d5-14
0.384
MAK-UNK-f0bfc2e0-1
0.382
DAR-DIA-fc970077-9
0.380
MAT-POS-136e7878-1
0.378
JOR-UNI-61e7b1d5-22
0.376
ADA-UNI-f8e79267-11
0.374
JAN-GHE-f4ca5a00-11
0.372
MAR-TRE-04c86cea-97
0.372
ASH-UNK-40b46b30-9
0.371
MAK-UNK-a7b37c5e-4
0.367
CHR-SOS-7098f804-16
0.363
SAM-UNK-2684b532-2
0.363
WIL-UNI-5578df48-6
0.362
BEN-BAS-3b12fa42-1
0.360
AAR-POS-d2a4d1df-11
0.360
MIC-UNK-cdc2493e-19
0.360
MIC-UNK-cdc2493e-23
0.360
ADA-UNI-f8e79267-12
0.359
MIC-UNK-cdc2493e-1
0.356
ADA-UNI-f8e79267-8
0.354
DAR-DIA-23aa0b97-16
0.354
MIC-UNK-cdc2493e-22
0.352
JAN-GHE-83b26c96-16
0.352
CHR-SOS-59746812-1
0.352
CHR-SOS-7098f804-14
0.352
KAY-MCD-59dc2eb3-1
0.352
SIM-SYN-a98e6a07-2
0.352
ADA-UNI-f8e79267-10
0.351
MIC-UNK-cdc2493e-24
0.350
EDJ-MED-c314995a-1
0.350
VLA-UCB-05e51b3f-14
0.350
CHR-SOS-59746812-5
0.348
CHR-SOS-7098f804-11
0.345
MAR-TRE-74c6519b-47
0.345
CHR-SOS-7098f804-13
0.344
BAR-COM-21d20d65-8
0.344
VLA-UCB-34f3ed0c-13
0.343
NAU-LAT-445f63e5-1
0.341
MAR-TRE-7f7bb9f0-74
0.341
CHR-SOS-7098f804-18
0.341
MIC-UNK-cdc2493e-2
0.340
MIC-UNK-cdc2493e-15
0.340
MAK-UNK-ca11b4f7-1
0.338
WAR-XCH-eb7b662f-3
0.338
SEA-TRI-2dd971ce-1
0.337