MMsINC Database Search


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MMsINC code: MMs02327433

Type: Neutral
Formula: C₁₀H₁₅NO

SMILES:

OCCNc1ccccc1CC

InChI:

InChI=1/C10H15NO/c1-2-9-5-3-4-6-10(9)11-7-8-12/h3-6,11-12H,2,7-8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.0508 kcal/mol

Physical Properties
Molecular Weight: 165.236 g/mol	logS: -1.65449	SlogP: 1.65317	Reactive groups: 0

Topological Properties
Globularity: 0.0903114	Sterimol/B1: 2.07223	Sterimol/B2: 2.54457	Sterimol/B3: 3.67731
Sterimol/B4: 7.41858	Sterimol/L: 11.1814

Surface and Volume Properties
Accessible surface: 388.581	Positive charged surface: 274.781	Negative charged surface: 113.8	Volume: 180.125
Hydrophobic surface: 307.276	Hydrophilic surface: 81.305

Pharmacophoric Properties
Hydrogen bond donors: 2	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.