MMsINC Database Search


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MMsINC code: MMs00611770

Type: Neutral
Formula: C₁₄H₁₉NO₂

SMILES:

Oc1ccc(cc1NC(=O)C1CCCCC1)C

InChI:

InChI=1/C14H19NO2/c1-10-7-8-13(16)12(9-10)15-14(17)11-5-3-2-4-6-11/h7-9,11,16H,2-6H2,1H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.6574 kcal/mol

Physical Properties
Molecular Weight: 233.311 g/mol	logS: -3.55346	SlogP: 3.21942	Reactive groups: 0

Topological Properties
Globularity: 0.0391598	Sterimol/B1: 2.2508	Sterimol/B2: 2.99157	Sterimol/B3: 3.13496
Sterimol/B4: 6.75017	Sterimol/L: 14.2171

Surface and Volume Properties
Accessible surface: 469.042	Positive charged surface: 330.843	Negative charged surface: 138.199	Volume: 240.75
Hydrophobic surface: 395.725	Hydrophilic surface: 73.317

Pharmacophoric Properties
Hydrogen bond donors: 2	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.