MMsINC Database Search


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MMsINC code: MMs01231431

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O=C(N)c1ccc(NC(=O)Cc2c3c(ccc2)cccc3)cc1

InChI:

InChI=1/C19H16N2O2/c20-19(23)14-8-10-16(11-9-14)21-18(22)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11H,12H2,(H2,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.644 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -5.54634	SlogP: 3.11987	Reactive groups: 0

Topological Properties
Globularity: 0.0916729	Sterimol/B1: 2.45622	Sterimol/B2: 3.10737	Sterimol/B3: 4.84176
Sterimol/B4: 6.95546	Sterimol/L: 15.7051

Surface and Volume Properties
Accessible surface: 548.468	Positive charged surface: 310.482	Negative charged surface: 229.088	Volume: 293.25
Hydrophobic surface: 407.267	Hydrophilic surface: 141.201

Pharmacophoric Properties
Hydrogen bond donors: 2	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.