MMsINC Database Search


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MMsINC code: MMs01987509

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O=C(NC(=O)N(CCC)CCC)c1ccccc1

InChI:

InChI=1/C14H20N2O2/c1-3-10-16(11-4-2)14(18)15-13(17)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,15,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.9501 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -2.71151	SlogP: 2.6584	Reactive groups: 0

Topological Properties
Globularity: 0.0492305	Sterimol/B1: 2.48474	Sterimol/B2: 2.6199	Sterimol/B3: 3.34816
Sterimol/B4: 7.53092	Sterimol/L: 15.2621

Surface and Volume Properties
Accessible surface: 508.05	Positive charged surface: 320.769	Negative charged surface: 187.281	Volume: 260.75
Hydrophobic surface: 402.436	Hydrophilic surface: 105.614

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.