MMsINC Database Search


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MMsINC code: MMs01618205

Type: Neutral
Formula: C₁₉H₂₃NO

SMILES:

O=C(Nc1ccccc1C(CC)C)c1cc(ccc1C)C

InChI:

InChI=1/C19H23NO/c1-5-14(3)16-8-6-7-9-18(16)20-19(21)17-12-13(2)10-11-15(17)4/h6-12,14H,5H2,1-4H3,(H,20,21)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.4457 kcal/mol

Physical Properties
Molecular Weight: 281.399 g/mol	logS: -6.00884	SlogP: 5.06924	Reactive groups: 0

Topological Properties
Globularity: 0.0957163	Sterimol/B1: 2.27715	Sterimol/B2: 2.41782	Sterimol/B3: 5.16423
Sterimol/B4: 8.645	Sterimol/L: 13.3303

Surface and Volume Properties
Accessible surface: 554.176	Positive charged surface: 348.473	Negative charged surface: 205.703	Volume: 302.875
Hydrophobic surface: 496.812	Hydrophilic surface: 57.364

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.