MMsINC Database Search


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MMsINC code: MMs00712068

Type: Neutral
Formula: C₁₁H₁₄N₂O₃

SMILES:

OCCNC(=O)CNC(=O)c1ccccc1

InChI:

InChI=1/C11H14N2O3/c14-7-6-12-10(15)8-13-11(16)9-4-2-1-3-5-9/h1-5,14H,6-8H2,(H,12,15)(H,13,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.9062 kcal/mol

Physical Properties
Molecular Weight: 222.244 g/mol	logS: -1.50104	SlogP: -0.4751	Reactive groups: 0

Topological Properties
Globularity: 0.0133489	Sterimol/B1: 2.6004	Sterimol/B2: 2.72116	Sterimol/B3: 3.35186
Sterimol/B4: 4.76464	Sterimol/L: 15.8908

Surface and Volume Properties
Accessible surface: 463.632	Positive charged surface: 302.927	Negative charged surface: 160.706	Volume: 212.25
Hydrophobic surface: 315.658	Hydrophilic surface: 147.974

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.