MMsINC Database Search


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MMsINC code: MMs02674131

Type: Ionized
Formula: C₁₅H₁₃N₂O₃-

SMILES:

O=C([O-])c1ccc(NC(=O)Nc2ccc(cc2)C)cc1

InChI:

InChI=1/C15H14N2O3/c1-10-2-6-12(7-3-10)16-15(20)17-13-8-4-11(5-9-13)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.2834 kcal/mol

Physical Properties
Molecular Weight: 269.28 g/mol	logS: -3.95582	SlogP: 2.00252	Reactive groups: 0

Topological Properties
Globularity: 0.00236308	Sterimol/B1: 2.12932	Sterimol/B2: 2.52065	Sterimol/B3: 3.25994
Sterimol/B4: 4.52605	Sterimol/L: 18.149

Surface and Volume Properties
Accessible surface: 511.628	Positive charged surface: 264.101	Negative charged surface: 247.526	Volume: 256.625
Hydrophobic surface: 363.439	Hydrophilic surface: 148.189

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 2	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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Parent related molecule:

MMs02674130
PUBCHEM-ZINC00397456