MMsINC Database Search


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MMsINC code: MMs03065740

Type: Neutral
Formula: C₁₅H₂₃NO

SMILES:

O(C)c1ccc(cc1C(C)(C)C)C(N)C1CC1

InChI:

InChI=1/C15H23NO/c1-15(2,3)12-9-11(7-8-13(12)17-4)14(16)10-5-6-10/h7-10,14H,5-6,16H2,1-4H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.0154 kcal/mol

Physical Properties
Molecular Weight: 233.355 g/mol	logS: -3.43502	SlogP: 3.498	Reactive groups: 0

Topological Properties
Globularity: 0.123456	Sterimol/B1: 2.1722	Sterimol/B2: 3.67005	Sterimol/B3: 3.79355
Sterimol/B4: 7.6267	Sterimol/L: 12.3936

Surface and Volume Properties
Accessible surface: 490.112	Positive charged surface: 355.973	Negative charged surface: 134.139	Volume: 258.125
Hydrophobic surface: 356.157	Hydrophilic surface: 133.955

Pharmacophoric Properties
Hydrogen bond donors: 1	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.