MMsINC Database Search


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MMsINC code: MMs03462671

Type: Neutral
Formula: C₁₀H₁₅NO

SMILES:

OC(C(N)c1ccccc1)(C)C

InChI:

InChI=1/C10H15NO/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,9,12H,11H2,1-2H3/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.3131 kcal/mol

Physical Properties
Molecular Weight: 165.236 g/mol	logS: -1.50168	SlogP: 1.5528	Reactive groups: 0

Topological Properties
Globularity: 0.168388	Sterimol/B1: 3.22402	Sterimol/B2: 3.34399	Sterimol/B3: 3.65646
Sterimol/B4: 3.66722	Sterimol/L: 11.0904

Surface and Volume Properties
Accessible surface: 367.116	Positive charged surface: 225.083	Negative charged surface: 142.033	Volume: 177.75
Hydrophobic surface: 261.848	Hydrophilic surface: 105.268

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.