MMsINC Database Search


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MMsINC code: MMs02671220

Type: Neutral
Formula: C₁₇H₁₄N₂O₂

SMILES:

Oc1c2c(ccc1)c(NC(=O)Nc1ccccc1)ccc2

InChI:

InChI=1/C17H14N2O2/c20-16-11-5-8-13-14(16)9-4-10-15(13)19-17(21)18-12-6-2-1-3-7-12/h1-11,20H,(H2,18,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.5109 kcal/mol

Physical Properties
Molecular Weight: 278.311 g/mol	logS: -4.76798	SlogP: 4.1894	Reactive groups: 0

Topological Properties
Globularity: 0.0319503	Sterimol/B1: 2.96684	Sterimol/B2: 3.4696	Sterimol/B3: 4.47445
Sterimol/B4: 5.11356	Sterimol/L: 16.2461

Surface and Volume Properties
Accessible surface: 512.182	Positive charged surface: 282.667	Negative charged surface: 218.443	Volume: 263.875
Hydrophobic surface: 415.851	Hydrophilic surface: 96.331

Pharmacophoric Properties
Hydrogen bond donors: 3	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.