MMsINC Database Search


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MMsINC code: MMs02546397

Type: Neutral
Formula: C₁₀H₁₅NO

SMILES:

O(C)c1ccc(NC(C)C)cc1

InChI:

InChI=1/C10H15NO/c1-8(2)11-9-4-6-10(12-3)7-5-9/h4-8,11H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.1875 kcal/mol

Physical Properties
Molecular Weight: 165.236 g/mol	logS: -1.88614	SlogP: 2.5155	Reactive groups: 0

Topological Properties
Globularity: 0.0659056	Sterimol/B1: 2.18567	Sterimol/B2: 2.37484	Sterimol/B3: 4.33806
Sterimol/B4: 5.4064	Sterimol/L: 12.9107

Surface and Volume Properties
Accessible surface: 386.325	Positive charged surface: 280.171	Negative charged surface: 106.155	Volume: 183.5
Hydrophobic surface: 319.395	Hydrophilic surface: 66.93

Pharmacophoric Properties
Hydrogen bond donors: 1	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.