MMsINC Database Search


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MMsINC code: MMs00260329

Type: Neutral
Formula: C₁₄H₁₆N₂O₃

SMILES:

O=C1c2c(N(CC(=O)N(CC)CC)C1=O)cccc2

InChI:

InChI=1/C14H16N2O3/c1-3-15(4-2)12(17)9-16-11-8-6-5-7-10(11)13(18)14(16)19/h5-8H,3-4,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.5334 kcal/mol

Physical Properties
Molecular Weight: 260.293 g/mol	logS: -2.65573	SlogP: 1.0843	Reactive groups: 0

Topological Properties
Globularity: 0.123079	Sterimol/B1: 2.45028	Sterimol/B2: 3.08646	Sterimol/B3: 4.53136
Sterimol/B4: 6.1269	Sterimol/L: 12.7359

Surface and Volume Properties
Accessible surface: 479.639	Positive charged surface: 285.644	Negative charged surface: 193.995	Volume: 250.875
Hydrophobic surface: 319.648	Hydrophilic surface: 159.991

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.