MMsINC Database Search


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MMsINC code: MMs02302905

Type: Neutral
Formula: C₁₀H₁₅NO

SMILES:

OC(C)c1cc(N(C)C)ccc1

InChI:

InChI=1/C10H15NO/c1-8(12)9-5-4-6-10(7-9)11(2)3/h4-8,12H,1-3H3/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.9237 kcal/mol

Physical Properties
Molecular Weight: 165.236 g/mol	logS: -1.41052	SlogP: 1.9014	Reactive groups: 0

Topological Properties
Globularity: 0.0765864	Sterimol/B1: 2.09717	Sterimol/B2: 3.04329	Sterimol/B3: 3.96644
Sterimol/B4: 5.66438	Sterimol/L: 11.4073

Surface and Volume Properties
Accessible surface: 384.589	Positive charged surface: 295.484	Negative charged surface: 89.1049	Volume: 181.5
Hydrophobic surface: 317.128	Hydrophilic surface: 67.461

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