MMsINC Database Search


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MMsINC code: MMs01438268

Type: Neutral
Formula: C₁₉H₂₃NO

SMILES:

O=C(NC(CCc1ccccc1)C)c1cc(ccc1C)C

InChI:

InChI=1/C19H23NO/c1-14-9-10-15(2)18(13-14)19(21)20-16(3)11-12-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,20,21)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.3142 kcal/mol

Physical Properties
Molecular Weight: 281.399 g/mol	logS: -4.8372	SlogP: 4.05451	Reactive groups: 0

Topological Properties
Globularity: 0.0926916	Sterimol/B1: 2.14074	Sterimol/B2: 3.51271	Sterimol/B3: 4.4907
Sterimol/B4: 8.14739	Sterimol/L: 15.7041

Surface and Volume Properties
Accessible surface: 577.643	Positive charged surface: 355.747	Negative charged surface: 221.896	Volume: 305
Hydrophobic surface: 538.301	Hydrophilic surface: 39.342

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: no related molecules available.