MMsINC Database Search


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MMsINC code: MMs02250355

Type: Neutral
Formula: C₁₁H₁₅NO₂

SMILES:

O(C)c1ccc(cc1)C(=O)NCCC

InChI:

InChI=1/C11H15NO2/c1-3-8-12-11(13)9-4-6-10(14-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.5107 kcal/mol

Physical Properties
Molecular Weight: 193.246 g/mol	logS: -2.11037	SlogP: 1.835	Reactive groups: 0

Topological Properties
Globularity: 0.0161389	Sterimol/B1: 2.37491	Sterimol/B2: 2.37571	Sterimol/B3: 2.64009
Sterimol/B4: 5.05281	Sterimol/L: 15.1056

Surface and Volume Properties
Accessible surface: 433.706	Positive charged surface: 305.575	Negative charged surface: 128.131	Volume: 201.75
Hydrophobic surface: 357.734	Hydrophilic surface: 75.972

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.