MMsINC Database Search


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MMsINC code: MMs02213916

Type: Neutral
Formula: C₁₆H₁₅NO₃

SMILES:

OC(=O)c1ccccc1C(=O)Nc1cc(C)c(cc1)C

InChI:

InChI=1/C16H15NO3/c1-10-7-8-12(9-11(10)2)17-15(18)13-5-3-4-6-14(13)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.0741 kcal/mol

Physical Properties
Molecular Weight: 269.3 g/mol	logS: -4.27211	SlogP: 3.25394	Reactive groups: 0

Topological Properties
Globularity: 0.0950997	Sterimol/B1: 3.25932	Sterimol/B2: 4.60638	Sterimol/B3: 4.65709
Sterimol/B4: 4.82719	Sterimol/L: 15.1645

Surface and Volume Properties
Accessible surface: 507.291	Positive charged surface: 294.34	Negative charged surface: 212.951	Volume: 259.5
Hydrophobic surface: 394.709	Hydrophilic surface: 112.582

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

MMs02213917
NCID-ZINC00284262