MMsINC Database Search


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MMsINC code: MMs02627526

Type: Neutral
Formula: C₁₅H₂₃NO

SMILES:

O=C(N(CCC)CCC)CCc1ccccc1

InChI:

InChI=1/C15H23NO/c1-3-12-16(13-4-2)15(17)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.2871 kcal/mol

Physical Properties
Molecular Weight: 233.355 g/mol	logS: -2.42637	SlogP: 3.26777	Reactive groups: 0

Topological Properties
Globularity: 0.0867161	Sterimol/B1: 2.32488	Sterimol/B2: 3.25533	Sterimol/B3: 3.97978
Sterimol/B4: 7.58406	Sterimol/L: 15.3499

Surface and Volume Properties
Accessible surface: 523.437	Positive charged surface: 353.327	Negative charged surface: 170.11	Volume: 267.375
Hydrophobic surface: 453.178	Hydrophilic surface: 70.259

Pharmacophoric Properties
Hydrogen bond donors: 0	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.