MMsINC Database Search


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MMsINC code: MMs00368287

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

o1c2c(nc1-c1cccc(N)c1C)cc(OC)cc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.13 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -4.63228	SlogP: 3.39402	Reactive groups: 0

Topological Properties
Globularity: 0.0260571	Sterimol/B1: 2.04326	Sterimol/B2: 2.4234	Sterimol/B3: 3.40779
Sterimol/B4: 6.34502	Sterimol/L: 16.0536

Surface and Volume Properties
Accessible surface: 480.496	Positive charged surface: 317.839	Negative charged surface: 162.657	Volume: 246.125
Hydrophobic surface: 385.49	Hydrophilic surface: 95.006

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.