MMsINC Database Search


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MMsINC code: MMs02341583

Type: Neutral
Formula: C₁₅H₂₃NO

SMILES:

OC1CCCCCC1c1ccccc1N(C)C

InChI:

InChI=1/C15H23NO/c1-16(2)14-10-7-6-8-12(14)13-9-4-3-5-11-15(13)17/h6-8,10,13,15,17H,3-5,9,11H2,1-2H3/t13-,15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.802 kcal/mol

Physical Properties
Molecular Weight: 233.355 g/mol	logS: -2.80393	SlogP: 3.1612	Reactive groups: 0

Topological Properties
Globularity: 0.23503	Sterimol/B1: 2.27203	Sterimol/B2: 3.08038	Sterimol/B3: 5.63574
Sterimol/B4: 6.8665	Sterimol/L: 11.3642

Surface and Volume Properties
Accessible surface: 458.436	Positive charged surface: 365.382	Negative charged surface: 93.054	Volume: 254
Hydrophobic surface: 427.411	Hydrophilic surface: 31.025

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.