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MMsINC code: MMs02737672

Type: Tautomer
Formula: C₂₄H₂₀N₂O

SMILES:

O=C1NC(C(c2ccccc2)=C(N1)\C=C/c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H20N2O/c27-24-25-21(17-16-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(26-24)20-14-8-3-9-15-20/h1-17,23H,(H2,25,26,27)/b17-16-/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.2568 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -6.14365	SlogP: 5.2607	Reactive groups: 0

Topological Properties
Globularity: 0.163566	Sterimol/B1: 3.49563	Sterimol/B2: 4.23176	Sterimol/B3: 4.62763
Sterimol/B4: 6.25724	Sterimol/L: 14.5368

Surface and Volume Properties
Accessible surface: 582.193	Positive charged surface: 332.512	Negative charged surface: 249.682	Volume: 354.375
Hydrophobic surface: 517.678	Hydrophilic surface: 64.515

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Parent related molecule:

MMs02737671
PUBCHEM-ZINC00754929