MMsINC Database Search


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MMsINC code: MMs03784957

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

Oc1ccc(cc1)C(=O)NNC(=O)Cc1ccccc1

InChI:

InChI=1/C15H14N2O3/c18-13-8-6-12(7-9-13)15(20)17-16-14(19)10-11-4-2-1-3-5-11/h1-9,18H,10H2,(H,16,19)(H,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.592 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -3.28292	SlogP: 1.39587	Reactive groups: 0

Topological Properties
Globularity: 0.0393933	Sterimol/B1: 2.91671	Sterimol/B2: 3.6118	Sterimol/B3: 3.66897
Sterimol/B4: 5.47178	Sterimol/L: 17.0435

Surface and Volume Properties
Accessible surface: 519.141	Positive charged surface: 292.705	Negative charged surface: 226.436	Volume: 253.625
Hydrophobic surface: 371.397	Hydrophilic surface: 147.744

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.