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MMsINC code: MMs03027883

Type: Neutral
Formula: C₁₇H₁₉NO₂

SMILES:

OC(=O)c1ccccc1Nc1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C17H19NO2/c1-17(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)16(19)20/h4-11,18H,1-3H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.041 kcal/mol

Physical Properties
Molecular Weight: 269.344 g/mol	logS: -4.99418	SlogP: 4.4259	Reactive groups: 0

Topological Properties
Globularity: 0.144739	Sterimol/B1: 3.47218	Sterimol/B2: 3.99597	Sterimol/B3: 4.6009
Sterimol/B4: 5.2078	Sterimol/L: 14.1008

Surface and Volume Properties
Accessible surface: 504.502	Positive charged surface: 319.812	Negative charged surface: 184.69	Volume: 275.25
Hydrophobic surface: 361.136	Hydrophilic surface: 143.366

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03027884
PUBCHEM-ZINC03631867