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MMsINC code: MMs02363313

Type: Ionized
Formula: C₁₆H₁₅N₂O₃-

SMILES:

O=C([O-])c1ccc(NC(=O)Nc2ccccc2CC)cc1

InChI:

InChI=1/C16H16N2O3/c1-2-11-5-3-4-6-14(11)18-16(21)17-13-9-7-12(8-10-13)15(19)20/h3-10H,2H2,1H3,(H,19,20)(H2,17,18,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.9136 kcal/mol

Physical Properties
Molecular Weight: 283.307 g/mol	logS: -4.15759	SlogP: 2.25647	Reactive groups: 0

Topological Properties
Globularity: 0.0146437	Sterimol/B1: 2.17357	Sterimol/B2: 2.56353	Sterimol/B3: 3.50117
Sterimol/B4: 7.57077	Sterimol/L: 16.8106

Surface and Volume Properties
Accessible surface: 526.588	Positive charged surface: 278.469	Negative charged surface: 248.119	Volume: 274.625
Hydrophobic surface: 372.993	Hydrophilic surface: 153.595

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

search links for this molecule:

Parent related molecule:

MMs02363312
NCID-ZINC01753462