MMsINC Database Search


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MMsINC code: MMs00732419

Type: Neutral
Formula: C₁₉H₂₃NO

SMILES:

O=C(NC(Cc1ccccc1)CC)CCc1ccccc1

InChI:

InChI=1/C19H23NO/c1-2-18(15-17-11-7-4-8-12-17)20-19(21)14-13-16-9-5-3-6-10-16/h3-12,18H,2,13-15H2,1H3,(H,20,21)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.6498 kcal/mol

Physical Properties
Molecular Weight: 281.399 g/mol	logS: -3.83275	SlogP: 3.75664	Reactive groups: 0

Topological Properties
Globularity: 0.074361	Sterimol/B1: 2.55595	Sterimol/B2: 2.80665	Sterimol/B3: 4.00832
Sterimol/B4: 9.58538	Sterimol/L: 14.9532

Surface and Volume Properties
Accessible surface: 569.849	Positive charged surface: 352.799	Negative charged surface: 217.05	Volume: 307.5
Hydrophobic surface: 528.379	Hydrophilic surface: 41.47

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.