MMsINC Database Search


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MMsINC code: MMs03211229

Type: Neutral
Formula: C₁₀H₁₅NO

SMILES:

O(C)c1ccc(N(CC)C)cc1

InChI:

InChI=1/C10H15NO/c1-4-11(2)9-5-7-10(12-3)8-6-9/h5-8H,4H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.0789 kcal/mol

Physical Properties
Molecular Weight: 165.236 g/mol	logS: -1.68988	SlogP: 2.1513	Reactive groups: 0

Topological Properties
Globularity: 0.0546868	Sterimol/B1: 2.06849	Sterimol/B2: 2.44048	Sterimol/B3: 3.38175
Sterimol/B4: 5.78925	Sterimol/L: 12.0594

Surface and Volume Properties
Accessible surface: 380.714	Positive charged surface: 292.177	Negative charged surface: 88.5366	Volume: 181.375
Hydrophobic surface: 338.594	Hydrophilic surface: 42.12

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.