MMsINC Database Search


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MMsINC code: MMs00620019

Type: Neutral
Formula: C₁₄H₂₁NO

SMILES:

O=C(NC(C(C)C)C(C)C)c1ccccc1

InChI:

InChI=1/C14H21NO/c1-10(2)13(11(3)4)15-14(16)12-8-6-5-7-9-12/h5-11,13H,1-4H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.0584 kcal/mol

Physical Properties
Molecular Weight: 219.328 g/mol	logS: -2.99251	SlogP: 3.097	Reactive groups: 0

Topological Properties
Globularity: 0.148493	Sterimol/B1: 2.41449	Sterimol/B2: 3.18931	Sterimol/B3: 3.94284
Sterimol/B4: 7.18904	Sterimol/L: 13.4041

Surface and Volume Properties
Accessible surface: 461.561	Positive charged surface: 284.093	Negative charged surface: 177.467	Volume: 244.625
Hydrophobic surface: 367.184	Hydrophilic surface: 94.377

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.