MMsINC Database Search


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MMsINC code: MMs01230850

Type: Neutral
Formula: C₁₉H₁₇NO

SMILES:

O=C(Nc1ccc(cc1)CC)c1c2c(ccc1)cccc2

InChI:

InChI=1/C19H17NO/c1-2-14-10-12-16(13-11-14)20-19(21)18-9-5-7-15-6-3-4-8-17(15)18/h3-13H,2H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.41 kcal/mol

Physical Properties
Molecular Weight: 275.351 g/mol	logS: -6.22189	SlogP: 4.65447	Reactive groups: 0

Topological Properties
Globularity: 0.0237407	Sterimol/B1: 2.45116	Sterimol/B2: 3.77136	Sterimol/B3: 3.90998
Sterimol/B4: 6.13688	Sterimol/L: 16.6649

Surface and Volume Properties
Accessible surface: 535.57	Positive charged surface: 300.954	Negative charged surface: 224.786	Volume: 283.125
Hydrophobic surface: 481.521	Hydrophilic surface: 54.049

Pharmacophoric Properties
Hydrogen bond donors: 1	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.