MMsINC Database Search


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MMsINC code: MMs02320725

Type: Neutral
Formula: C₁₉H₂₃NO

SMILES:

O=C(c1ccc(N(CCC)CCC)cc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.4795 kcal/mol

Physical Properties
Molecular Weight: 281.399 g/mol	logS: -4.44306	SlogP: 4.544	Reactive groups: 0

Topological Properties
Globularity: 0.0771166	Sterimol/B1: 2.18177	Sterimol/B2: 2.95925	Sterimol/B3: 4.65894
Sterimol/B4: 8.58553	Sterimol/L: 16.0181

Surface and Volume Properties
Accessible surface: 567.668	Positive charged surface: 358.256	Negative charged surface: 209.412	Volume: 307
Hydrophobic surface: 475.166	Hydrophilic surface: 92.502

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.