MMsINC Database Search


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MMsINC code: MMs00370106

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

Oc1ccccc1C(=O)N\N=C(\C)/c1ccccc1

InChI:

InChI=1/C15H14N2O2/c1-11(12-7-3-2-4-8-12)16-17-15(19)13-9-5-6-10-14(13)18/h2-10,18H,1H3,(H,17,19)/b16-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.5952 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -3.48236	SlogP: 2.5462	Reactive groups: 0

Topological Properties
Globularity: 0.00418907	Sterimol/B1: 2.0355	Sterimol/B2: 2.23793	Sterimol/B3: 2.52211
Sterimol/B4: 6.3588	Sterimol/L: 16.3837

Surface and Volume Properties
Accessible surface: 493.976	Positive charged surface: 267.875	Negative charged surface: 226.1	Volume: 248
Hydrophobic surface: 399.297	Hydrophilic surface: 94.679

Pharmacophoric Properties
Hydrogen bond donors: 2	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.