MMsINC Database Search


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MMsINC code: MMs00483152

Type: Neutral
Formula: C₂₀H₁₉NO₂

SMILES:

O(Cc1ccccc1)C(=O)C(N)Cc1cc2c(cc1)cccc2

InChI:

InChI=1/C20H19NO2/c21-19(20(22)23-14-15-6-2-1-3-7-15)13-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19H,13-14,21H2/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3008 kcal/mol

Physical Properties
Molecular Weight: 305.377 g/mol	logS: -5.16522	SlogP: 3.71937	Reactive groups: 0

Topological Properties
Globularity: 0.0486168	Sterimol/B1: 3.15537	Sterimol/B2: 3.59128	Sterimol/B3: 3.73147
Sterimol/B4: 6.96306	Sterimol/L: 17.0724

Surface and Volume Properties
Accessible surface: 590.636	Positive charged surface: 331.118	Negative charged surface: 248.682	Volume: 312.25
Hydrophobic surface: 507.012	Hydrophilic surface: 83.624

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.