MMsINC Database Search


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MMsINC code: MMs00583577

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O1CCCC1CNC(=O)c1cc(N(C)C)ccc1

InChI:

InChI=1/C14H20N2O2/c1-16(2)12-6-3-5-11(9-12)14(17)15-10-13-7-4-8-18-13/h3,5-6,9,13H,4,7-8,10H2,1-2H3,(H,15,17)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.0453 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -2.15344	SlogP: 1.6614	Reactive groups: 0

Topological Properties
Globularity: 0.0229069	Sterimol/B1: 3.09894	Sterimol/B2: 3.1491	Sterimol/B3: 4.24849
Sterimol/B4: 4.31548	Sterimol/L: 16.7421

Surface and Volume Properties
Accessible surface: 509.164	Positive charged surface: 392.796	Negative charged surface: 116.368	Volume: 256.5
Hydrophobic surface: 457.986	Hydrophilic surface: 51.178

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.