MMsINC Database Search


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MMsINC code: MMs01744341

Type: Neutral
Formula: C₁₈H₁₄N₂O

SMILES:

O(C)c1ccc(cc1)-c1nccc2c1[nH]c1c2cccc1

InChI:

InChI=1/C18H14N2O/c1-21-13-8-6-12(7-9-13)17-18-15(10-11-19-17)14-4-2-3-5-16(14)20-18/h2-11,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.5881 kcal/mol

Physical Properties
Molecular Weight: 274.323 g/mol	logS: -4.70888	SlogP: 4.3917	Reactive groups: 0

Topological Properties
Globularity: 0.0196712	Sterimol/B1: 2.55299	Sterimol/B2: 3.07485	Sterimol/B3: 3.26962
Sterimol/B4: 7.55624	Sterimol/L: 15.8726

Surface and Volume Properties
Accessible surface: 509.516	Positive charged surface: 312.843	Negative charged surface: 180.933	Volume: 269.625
Hydrophobic surface: 476.907	Hydrophilic surface: 32.609

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.