MMsINC Database Search


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MMsINC code: MMs00173500

Type: Neutral
Formula: C₁₄H₁₈N₂O₃

SMILES:

O(C(=O)c1ncccc1)CC(=O)NC1CCCCC1

InChI:

InChI=1/C14H18N2O3/c17-13(16-11-6-2-1-3-7-11)10-19-14(18)12-8-4-5-9-15-12/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8635 kcal/mol

Physical Properties
Molecular Weight: 262.309 g/mol	logS: -2.3051	SlogP: 1.6873	Reactive groups: 0

Topological Properties
Globularity: 0.0321246	Sterimol/B1: 3.16946	Sterimol/B2: 3.37783	Sterimol/B3: 3.79912
Sterimol/B4: 4.39785	Sterimol/L: 17.284

Surface and Volume Properties
Accessible surface: 522.334	Positive charged surface: 370.617	Negative charged surface: 151.717	Volume: 256.375
Hydrophobic surface: 414.784	Hydrophilic surface: 107.55

Pharmacophoric Properties
Hydrogen bond donors: 1	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.