MMsINC Database Search


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MMsINC code: MMs00277138

Type: Neutral
Formula: C₁₄H₂₁NO₂

SMILES:

O(C)c1cc(ccc1)C(=O)NCCCCCC

InChI:

InChI=1/C14H21NO2/c1-3-4-5-6-10-15-14(16)12-8-7-9-13(11-12)17-2/h7-9,11H,3-6,10H2,1-2H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.5007 kcal/mol

Physical Properties
Molecular Weight: 235.327 g/mol	logS: -3.65603	SlogP: 3.0053	Reactive groups: 0

Topological Properties
Globularity: 0.0123854	Sterimol/B1: 2.37527	Sterimol/B2: 2.37706	Sterimol/B3: 3.65551
Sterimol/B4: 4.61574	Sterimol/L: 19.39

Surface and Volume Properties
Accessible surface: 521.747	Positive charged surface: 383.128	Negative charged surface: 138.62	Volume: 254.125
Hydrophobic surface: 443.569	Hydrophilic surface: 78.178

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.