MMsINC Database Search


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MMsINC code: MMs03232438

Type: Neutral
Formula: C₁₀H₁₅NO

SMILES:

OC(C)(C)c1ccccc1NC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6566 kcal/mol

Physical Properties
Molecular Weight: 165.236 g/mol	logS: -1.60678	SlogP: 2.2672	Reactive groups: 0

Topological Properties
Globularity: 0.190163	Sterimol/B1: 2.40111	Sterimol/B2: 4.43255	Sterimol/B3: 4.83004
Sterimol/B4: 5.64718	Sterimol/L: 9.70315

Surface and Volume Properties
Accessible surface: 366.037	Positive charged surface: 257.55	Negative charged surface: 108.488	Volume: 178.5
Hydrophobic surface: 294.709	Hydrophilic surface: 71.328

Pharmacophoric Properties
Hydrogen bond donors: 2	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.