MMsINC Database Search


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MMsINC code: MMs00844914

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

o1c2c(nc1-c1cc(N)c(OC)cc1)cc(cc2)C

InChI:

InChI=1/C15H14N2O2/c1-9-3-5-14-12(7-9)17-15(19-14)10-4-6-13(18-2)11(16)8-10/h3-8H,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.242 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -4.94573	SlogP: 3.39402	Reactive groups: 0

Topological Properties
Globularity: 0.00533002	Sterimol/B1: 2.37687	Sterimol/B2: 2.51217	Sterimol/B3: 2.60193
Sterimol/B4: 5.62851	Sterimol/L: 16.8015

Surface and Volume Properties
Accessible surface: 498.443	Positive charged surface: 335.181	Negative charged surface: 163.262	Volume: 247.375
Hydrophobic surface: 397.119	Hydrophilic surface: 101.324

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.