MMsINC Database Search


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MMsINC code: MMs03235972

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O=C(N(CC)c1cc(NC(=O)CC)ccc1)CC

InChI:

InChI=1/C14H20N2O2/c1-4-13(17)15-11-8-7-9-12(10-11)16(6-3)14(18)5-2/h7-10H,4-6H2,1-3H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.092 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -2.42854	SlogP: 2.798	Reactive groups: 0

Topological Properties
Globularity: 0.105536	Sterimol/B1: 3.47802	Sterimol/B2: 4.11135	Sterimol/B3: 4.15874
Sterimol/B4: 4.33763	Sterimol/L: 16.3937

Surface and Volume Properties
Accessible surface: 508.395	Positive charged surface: 353.089	Negative charged surface: 155.306	Volume: 256
Hydrophobic surface: 377.855	Hydrophilic surface: 130.54

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.