MMsINC Database Search


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MMsINC code: MMs00595819

Type: Neutral
Formula: C₁₈H₁₄N₂O₃

SMILES:

Oc1cc2c(cc1C(=O)Nc1ccc(cc1)C(=O)N)cccc2

InChI:

InChI=1/C18H14N2O3/c19-17(22)11-5-7-14(8-6-11)20-18(23)15-9-12-3-1-2-4-13(12)10-16(15)21/h1-10,21H,(H2,19,22)(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.8945 kcal/mol

Physical Properties
Molecular Weight: 306.321 g/mol	logS: -5.12292	SlogP: 2.8966	Reactive groups: 0

Topological Properties
Globularity: 0.0153787	Sterimol/B1: 2.21643	Sterimol/B2: 2.44573	Sterimol/B3: 3.15433
Sterimol/B4: 6.52604	Sterimol/L: 18.1242

Surface and Volume Properties
Accessible surface: 538.049	Positive charged surface: 293.687	Negative charged surface: 233.548	Volume: 284.125
Hydrophobic surface: 361.933	Hydrophilic surface: 176.116

Pharmacophoric Properties
Hydrogen bond donors: 3	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.