MMsINC Database Search


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MMsINC code: MMs00173504

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

O(C(=O)c1cccnc1)CC(=O)Nc1cc(ccc1)C

InChI:

InChI=1/C15H14N2O3/c1-11-4-2-6-13(8-11)17-14(18)10-20-15(19)12-5-3-7-16-9-12/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2261 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -2.97882	SlogP: 2.18552	Reactive groups: 0

Topological Properties
Globularity: 0.0175018	Sterimol/B1: 2.21943	Sterimol/B2: 3.30833	Sterimol/B3: 3.62839
Sterimol/B4: 4.97691	Sterimol/L: 17.76

Surface and Volume Properties
Accessible surface: 519.182	Positive charged surface: 336.328	Negative charged surface: 182.854	Volume: 258.375
Hydrophobic surface: 417.118	Hydrophilic surface: 102.064

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