MMsINC Database Search


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MMsINC code: MMs02332911

Type: Neutral
Formula: C₁₆H₁₄N₂O₂

SMILES:

O=C(N(O)c1ccc(cc1)-c1[nH]c2c(c1)cccc2)C

InChI:

InChI=1/C16H14N2O2/c1-11(19)18(20)14-8-6-12(7-9-14)16-10-13-4-2-3-5-15(13)17-16/h2-10,17,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.6307 kcal/mol

Physical Properties
Molecular Weight: 266.3 g/mol	logS: -4.0828	SlogP: 3.577	Reactive groups: 0

Topological Properties
Globularity: 0.0176836	Sterimol/B1: 2.74406	Sterimol/B2: 3.55554	Sterimol/B3: 3.55884
Sterimol/B4: 4.3176	Sterimol/L: 16.8237

Surface and Volume Properties
Accessible surface: 501.017	Positive charged surface: 267.711	Negative charged surface: 227.853	Volume: 258.375
Hydrophobic surface: 402.854	Hydrophilic surface: 98.163

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.