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MMsINC code: MMs00449295

Type: Neutral
Formula: C₁₄H₁₇NO₂

SMILES:

OC=1c2c(N(C)C(=O)C=1CCCC)cccc2

InChI:

InChI=1/C14H17NO2/c1-3-4-7-11-13(16)10-8-5-6-9-12(10)15(2)14(11)17/h5-6,8-9,16H,3-4,7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.8023 kcal/mol

Physical Properties
Molecular Weight: 231.295 g/mol	logS: -3.34589	SlogP: 3.1223	Reactive groups: 0

Topological Properties
Globularity: 0.0622648	Sterimol/B1: 2.14592	Sterimol/B2: 4.28287	Sterimol/B3: 4.44153
Sterimol/B4: 5.04595	Sterimol/L: 14.535

Surface and Volume Properties
Accessible surface: 458.922	Positive charged surface: 317.977	Negative charged surface: 140.945	Volume: 232.375
Hydrophobic surface: 375.564	Hydrophilic surface: 83.358

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.