MMsINC Database Search


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MMsINC code: MMs01211302

Type: Neutral
Formula: C₁₄H₂₄N₂O₂

SMILES:

O(CCNC(=O)c1n(CC)c(C)c(CC)c1C)C

InChI:

InChI=1/C14H24N2O2/c1-6-12-10(3)13(16(7-2)11(12)4)14(17)15-8-9-18-5/h6-9H2,1-5H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.2923 kcal/mol

Physical Properties
Molecular Weight: 252.358 g/mol	logS: -1.64056	SlogP: 2.32981	Reactive groups: 0

Topological Properties
Globularity: 0.148513	Sterimol/B1: 2.18818	Sterimol/B2: 2.83076	Sterimol/B3: 5.24282
Sterimol/B4: 8.57537	Sterimol/L: 13.7945

Surface and Volume Properties
Accessible surface: 536.823	Positive charged surface: 411.442	Negative charged surface: 125.381	Volume: 275.875
Hydrophobic surface: 446.561	Hydrophilic surface: 90.262

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.