MMsINC Database Search


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MMsINC code: MMs02367785

Type: Neutral
Formula: C₁₅H₁₇NO₂

SMILES:

O(CCOc1ccc(N)cc1)c1ccc(cc1)C

InChI:

InChI=1/C15H17NO2/c1-12-2-6-14(7-3-12)17-10-11-18-15-8-4-13(16)5-9-15/h2-9H,10-11,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.9443 kcal/mol

Physical Properties
Molecular Weight: 243.306 g/mol	logS: -3.47478	SlogP: 3.03502	Reactive groups: 0

Topological Properties
Globularity: 0.0293063	Sterimol/B1: 2.82076	Sterimol/B2: 3.17839	Sterimol/B3: 3.19405
Sterimol/B4: 4.12473	Sterimol/L: 17.6722

Surface and Volume Properties
Accessible surface: 515.126	Positive charged surface: 333.985	Negative charged surface: 181.141	Volume: 249.75
Hydrophobic surface: 444.305	Hydrophilic surface: 70.821

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.