MMsINC Database Search


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MMsINC code: MMs02370326

Type: Neutral
Formula: C₁₆H₁₅NO₂

SMILES:

OC1CC(N(C1=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H15NO2/c18-15-11-14(12-7-3-1-4-8-12)17(16(15)19)13-9-5-2-6-10-13/h1-10,14-15,18H,11H2/t14-,15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.3298 kcal/mol

Physical Properties
Molecular Weight: 253.301 g/mol	logS: -3.39695	SlogP: 2.621	Reactive groups: 0

Topological Properties
Globularity: 0.203144	Sterimol/B1: 3.2387	Sterimol/B2: 3.53403	Sterimol/B3: 4.31819
Sterimol/B4: 7.51008	Sterimol/L: 11.514

Surface and Volume Properties
Accessible surface: 455.503	Positive charged surface: 271.221	Negative charged surface: 184.282	Volume: 247.375
Hydrophobic surface: 375.916	Hydrophilic surface: 79.587

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.