[(E)-(4-indol-1-yl-4-oxo-1-phenylbutylidene)amino]urea

Formula:C19H18N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-(4-indol-1-yl-4-oxo-1-phenylbutylidene)amino]urea is a drug-like molecule.

MolName[(E)-(4-indol-1-yl-4-oxo-1-phenylbutylidene)amino]urea
MolecularFormulaC19H18N4O2
SmilesNC(N/N=C(\CCC(n(cc1)c2c1cccc2)=O)/c1ccccc1)=O
InChIInChI=1S/C19H18N4O2/c20-19(25)22-21-16(14-6-2-1-3-7-14)10-11-18(24)23-13-12-15-8-4-5-9-17(15)23/h1-9,12-13H,10-11H2,(H3,20,22,25)
InChIKLDWYDOAEGHOTJP-UHFFFAOYSA-N
TotalMolweight334.378
Molweight334.378
MonoisotopicMass334.142976
CLogP2.8658
CLogS-4.954
H Acceptors6
H Donors2
TotalSurfaceArea262.79
Relative PSA0.2709
PolarSurfaceArea89.48
Druglikeness3.7642
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.52
Fragments1
Non HAtoms25
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms2
Symmetricatoms2
Amides1
Aromatic Nitrogens1
StereoCon

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