MMsINC Database Search


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MMsINC code: MMs00655370

Type: Neutral
Formula: C₁₇H₁₄N₂O₃

SMILES:

O=C1CN(C(=O)C1C(=O)Nc1ccccc1)c1ccccc1

InChI:

InChI=1/C17H14N2O3/c20-14-11-19(13-9-5-2-6-10-13)17(22)15(14)16(21)18-12-7-3-1-4-8-12/h1-10,15H,11H2,(H,18,21)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.075 kcal/mol

Physical Properties
Molecular Weight: 294.31 g/mol	logS: -3.71408	SlogP: 1.8572	Reactive groups: 0

Topological Properties
Globularity: 0.0452075	Sterimol/B1: 2.25615	Sterimol/B2: 3.34251	Sterimol/B3: 4.58087
Sterimol/B4: 5.90383	Sterimol/L: 16.4707

Surface and Volume Properties
Accessible surface: 518.186	Positive charged surface: 283.595	Negative charged surface: 234.591	Volume: 274.75
Hydrophobic surface: 413.055	Hydrophilic surface: 105.131

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.