MMsINC Database Search


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MMsINC code: MMs03632056

Type: Neutral
Formula: C₂₀H₁₆N₂O₃

SMILES:

OC(=O)c1ccccc1NC(=O)N(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H16N2O3/c23-19(24)17-13-7-8-14-18(17)21-20(25)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,21,25)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.843 kcal/mol

Physical Properties
Molecular Weight: 332.359 g/mol	logS: -4.93932	SlogP: 4.755	Reactive groups: 0

Topological Properties
Globularity: 0.0639361	Sterimol/B1: 2.55459	Sterimol/B2: 3.39281	Sterimol/B3: 3.73377
Sterimol/B4: 9.60992	Sterimol/L: 14.494

Surface and Volume Properties
Accessible surface: 557.839	Positive charged surface: 316.8	Negative charged surface: 241.04	Volume: 313.125
Hydrophobic surface: 467.567	Hydrophilic surface: 90.272

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

MMs03632057
PUBCHEM-ZINC06240573