MMsINC Database Search


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MMsINC code: MMs02819428

Type: Neutral
Formula: C₁₀H₁₄N₂O₂

SMILES:

O(CCCC)C(=O)Nc1ncccc1

InChI:

InChI=1/C10H14N2O2/c1-2-3-8-14-10(13)12-9-6-4-5-7-11-9/h4-7H,2-3,8H2,1H3,(H,11,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.92589 kcal/mol

Physical Properties
Molecular Weight: 194.234 g/mol	logS: -1.76111	SlogP: 2.4302	Reactive groups: 0

Topological Properties
Globularity: 0.0141996	Sterimol/B1: 2.38051	Sterimol/B2: 2.49027	Sterimol/B3: 3.59559
Sterimol/B4: 4.23091	Sterimol/L: 15.7935

Surface and Volume Properties
Accessible surface: 437.004	Positive charged surface: 317.843	Negative charged surface: 119.161	Volume: 196.75
Hydrophobic surface: 335.419	Hydrophilic surface: 101.585

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.