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MMsINC code: MMs00844647

Type: Neutral
Formula: C₁₉H₂₃NO

SMILES:

OC(C1CCCN(C1)C)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H23NO/c1-20-14-8-13-18(15-20)19(21,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18,21H,8,13-15H2,1H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.6627 kcal/mol

Physical Properties
Molecular Weight: 281.399 g/mol	logS: -3.4504	SlogP: 3.5758	Reactive groups: 0

Topological Properties
Globularity: 0.238354	Sterimol/B1: 3.67969	Sterimol/B2: 4.09885	Sterimol/B3: 5.60133
Sterimol/B4: 6.11952	Sterimol/L: 13.0242

Surface and Volume Properties
Accessible surface: 517.549	Positive charged surface: 362.299	Negative charged surface: 155.25	Volume: 298.875
Hydrophobic surface: 498.155	Hydrophilic surface: 19.394

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

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

MMs00844648
CHEMDIV-ZINC00226957