MMsINC Database Search


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MMsINC code: MMs03351862

Type: Neutral
Formula: C₂₀H₁₉NO₂

SMILES:

o1c(cc(C(=O)NC(C)c2ccccc2)c1C)-c1ccccc1

InChI:

InChI=1/C20H19NO2/c1-14(16-9-5-3-6-10-16)21-20(22)18-13-19(23-15(18)2)17-11-7-4-8-12-17/h3-14H,1-2H3,(H,21,22)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.8593 kcal/mol

Physical Properties
Molecular Weight: 305.377 g/mol	logS: -5.93334	SlogP: 4.84152	Reactive groups: 0

Topological Properties
Globularity: 0.0453737	Sterimol/B1: 2.04065	Sterimol/B2: 2.71985	Sterimol/B3: 4.43237
Sterimol/B4: 9.18732	Sterimol/L: 16.6354

Surface and Volume Properties
Accessible surface: 588.58	Positive charged surface: 324.981	Negative charged surface: 263.599	Volume: 313.375
Hydrophobic surface: 537.18	Hydrophilic surface: 51.4

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.