MMsINC Database Search


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MMsINC code: MMs00830433

Type: Neutral
Formula: C₁₉H₂₃NO

SMILES:

O=C(N(Cc1ccccc1)C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C19H23NO/c1-19(2,3)17-12-10-16(11-13-17)18(21)20(4)14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3766 kcal/mol

Physical Properties
Molecular Weight: 281.399 g/mol	logS: -5.2125	SlogP: 4.5227	Reactive groups: 0

Topological Properties
Globularity: 0.0938531	Sterimol/B1: 2.34414	Sterimol/B2: 4.19937	Sterimol/B3: 4.66641
Sterimol/B4: 5.86029	Sterimol/L: 15.4416

Surface and Volume Properties
Accessible surface: 539.24	Positive charged surface: 350.677	Negative charged surface: 188.563	Volume: 302.125
Hydrophobic surface: 454.655	Hydrophilic surface: 84.585

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.