MMsINC Database Search


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MMsINC code: MMs03359215

Type: Neutral
Formula: C₁₇H₁₉NO₂

SMILES:

O(Cc1ccccc1)C(=O)C(NCc1ccccc1)C

InChI:

InChI=1/C17H19NO2/c1-14(18-12-15-8-4-2-5-9-15)17(19)20-13-16-10-6-3-7-11-16/h2-11,14,18H,12-13H2,1H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0488 kcal/mol

Physical Properties
Molecular Weight: 269.344 g/mol	logS: -3.62866	SlogP: 3.4409	Reactive groups: 0

Topological Properties
Globularity: 0.0411587	Sterimol/B1: 1.969	Sterimol/B2: 2.64467	Sterimol/B3: 4.09934
Sterimol/B4: 6.04738	Sterimol/L: 18.4209

Surface and Volume Properties
Accessible surface: 555.644	Positive charged surface: 333.147	Negative charged surface: 222.497	Volume: 282.625
Hydrophobic surface: 482.348	Hydrophilic surface: 73.296

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

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.