MMsINC Database Search


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MMsINC code: MMs02351809

Type: Neutral
Formula: C₁₈H₁₄N₂O₄

SMILES:

o1cc(C(=O)N2Cc3c(nc4c(c3)cccc4)C2)c(c1)C(OC)=O

InChI:

InChI=1/C18H14N2O4/c1-23-18(22)14-10-24-9-13(14)17(21)20-7-12-6-11-4-2-3-5-15(11)19-16(12)8-20/h2-6,9-10H,7-8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3755 kcal/mol

Physical Properties
Molecular Weight: 322.32 g/mol	logS: -4.03716	SlogP: 3.3032	Reactive groups: 0

Topological Properties
Globularity: 0.00601069	Sterimol/B1: 2.37381	Sterimol/B2: 2.38773	Sterimol/B3: 2.98554
Sterimol/B4: 5.75447	Sterimol/L: 18.896

Surface and Volume Properties
Accessible surface: 553.071	Positive charged surface: 330.477	Negative charged surface: 217.186	Volume: 292.875
Hydrophobic surface: 444.855	Hydrophilic surface: 108.216

Pharmacophoric Properties
Hydrogen bond donors: 0	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.