MMsINC Database Search


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MMsINC code: MMs00848105

Type: Neutral
Formula: C₁₅H₁₆N₂O₃

SMILES:

o1cccc1C(=O)NCC(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C15H16N2O3/c1-11-4-6-12(7-5-11)9-16-14(18)10-17-15(19)13-3-2-8-20-13/h2-8H,9-10H2,1H3,(H,16,18)(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.6252 kcal/mol

Physical Properties
Molecular Weight: 272.304 g/mol	logS: -3.69697	SlogP: 1.90062	Reactive groups: 0

Topological Properties
Globularity: 0.0330319	Sterimol/B1: 3.03832	Sterimol/B2: 3.61796	Sterimol/B3: 3.6182
Sterimol/B4: 4.31222	Sterimol/L: 19.3867

Surface and Volume Properties
Accessible surface: 549.346	Positive charged surface: 318.165	Negative charged surface: 231.181	Volume: 265.75
Hydrophobic surface: 430.382	Hydrophilic surface: 118.964

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.