MMsINC Database Search


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MMsINC code: MMs01935999

Type: Neutral
Formula: C₁₈H₁₈N₂O₂

SMILES:

O(C)c1cc2[nH]c(cc2cc1)C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C18H18N2O2/c1-20(12-13-6-4-3-5-7-13)18(21)17-10-14-8-9-15(22-2)11-16(14)19-17/h3-11,19H,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.6777 kcal/mol

Physical Properties
Molecular Weight: 294.354 g/mol	logS: -3.68612	SlogP: 3.7151	Reactive groups: 0

Topological Properties
Globularity: 0.0612129	Sterimol/B1: 2.11237	Sterimol/B2: 3.30324	Sterimol/B3: 4.52135
Sterimol/B4: 6.03401	Sterimol/L: 17.2172

Surface and Volume Properties
Accessible surface: 541.784	Positive charged surface: 350.164	Negative charged surface: 186.498	Volume: 293.125
Hydrophobic surface: 485.525	Hydrophilic surface: 56.259

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