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MMsINC code: MMs02302629

Type: Neutral
Formula: C₁₉H₂₅NO

SMILES:

OCC(NC(Cc1ccccc1)c1ccc(cc1)C)(C)C

InChI:

InChI=1/C19H25NO/c1-15-9-11-17(12-10-15)18(20-19(2,3)14-21)13-16-7-5-4-6-8-16/h4-12,18,20-21H,13-14H2,1-3H3/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7717 kcal/mol

Physical Properties
Molecular Weight: 283.415 g/mol	logS: -3.88055	SlogP: 3.73479	Reactive groups: 0

Topological Properties
Globularity: 0.156074	Sterimol/B1: 3.56676	Sterimol/B2: 3.6319	Sterimol/B3: 3.70611
Sterimol/B4: 6.94407	Sterimol/L: 15.1231

Surface and Volume Properties
Accessible surface: 538.361	Positive charged surface: 358.443	Negative charged surface: 179.918	Volume: 311.875
Hydrophobic surface: 467.282	Hydrophilic surface: 71.079

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02302630
NCID-ZINC01666401