MMsINC Database Search


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MMsINC code: MMs01611341

Type: Neutral
Formula: C₁₇H₁₇NO₂

SMILES:

O=C(c1ccc(cc1)C(=O)NC(C)C)c1ccccc1

InChI:

InChI=1/C17H17NO2/c1-12(2)18-17(20)15-10-8-14(9-11-15)16(19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7781 kcal/mol

Physical Properties
Molecular Weight: 267.328 g/mol	logS: -4.25824	SlogP: 3.0558	Reactive groups: 0

Topological Properties
Globularity: 0.0364574	Sterimol/B1: 2.46953	Sterimol/B2: 4.03057	Sterimol/B3: 4.337
Sterimol/B4: 4.6119	Sterimol/L: 17.0507

Surface and Volume Properties
Accessible surface: 523.537	Positive charged surface: 297.611	Negative charged surface: 225.926	Volume: 271.625
Hydrophobic surface: 412.322	Hydrophilic surface: 111.215

Pharmacophoric Properties
Hydrogen bond donors: 1	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.