MMsINC Database Search


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MMsINC code: MMs02698633

Type: Neutral
Formula: C₁₈H₁₄N₂O₂

SMILES:

O(C(=O)c1cnc(nc1C)-c1ccccc1)c1ccccc1

InChI:

InChI=1/C18H14N2O2/c1-13-16(18(21)22-15-10-6-3-7-11-15)12-19-17(20-13)14-8-4-2-5-9-14/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2666 kcal/mol

Physical Properties
Molecular Weight: 290.322 g/mol	logS: -5.40085	SlogP: 3.67122	Reactive groups: 0

Topological Properties
Globularity: 0.0353015	Sterimol/B1: 2.20406	Sterimol/B2: 3.40841	Sterimol/B3: 3.86472
Sterimol/B4: 6.69655	Sterimol/L: 18.3433

Surface and Volume Properties
Accessible surface: 549.684	Positive charged surface: 327.02	Negative charged surface: 217.058	Volume: 281.875
Hydrophobic surface: 510.8	Hydrophilic surface: 38.884

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.