MMsINC Database Search


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MMsINC code: MMs01611404

Type: Neutral
Formula: C₁₁H₁₄N₂O₂

SMILES:

O=C(NCC(=O)NC)Cc1ccccc1

InChI:

InChI=1/C11H14N2O2/c1-12-11(15)8-13-10(14)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,15)(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.7032 kcal/mol

Physical Properties
Molecular Weight: 206.245 g/mol	logS: -1.76505	SlogP: 0.09127	Reactive groups: 0

Topological Properties
Globularity: 0.055014	Sterimol/B1: 2.90455	Sterimol/B2: 3.35007	Sterimol/B3: 3.62094
Sterimol/B4: 3.62122	Sterimol/L: 15.766

Surface and Volume Properties
Accessible surface: 451.095	Positive charged surface: 317.733	Negative charged surface: 133.362	Volume: 205.375
Hydrophobic surface: 345.442	Hydrophilic surface: 105.653

Pharmacophoric Properties
Hydrogen bond donors: 2	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.