MMsINC Database Search


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MMsINC code: MMs00352855

Type: Neutral
Formula: C₁₄H₁₂N₂O₂

SMILES:

O=C1N(c2c3c1cccc3ccc2)CC(=O)NC

InChI:

InChI=1/C14H12N2O2/c1-15-12(17)8-16-11-7-3-5-9-4-2-6-10(13(9)11)14(16)18/h2-7H,8H2,1H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.2513 kcal/mol

Physical Properties
Molecular Weight: 240.262 g/mol	logS: -3.65383	SlogP: 1.546	Reactive groups: 0

Topological Properties
Globularity: 0.07576	Sterimol/B1: 2.12542	Sterimol/B2: 4.40173	Sterimol/B3: 4.70778
Sterimol/B4: 5.23518	Sterimol/L: 13.7875

Surface and Volume Properties
Accessible surface: 447.217	Positive charged surface: 283.727	Negative charged surface: 152.951	Volume: 226.25
Hydrophobic surface: 352.908	Hydrophilic surface: 94.309

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.