MMsINC Database Search


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MMsINC code: MMs01929349

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O(C)c1cc2c([nH]c(C(=O)NCCc3ccccc3)c2C)cc1

InChI:

InChI=1/C19H20N2O2/c1-13-16-12-15(23-2)8-9-17(16)21-18(13)19(22)20-11-10-14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.0627 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.01405	SlogP: 3.45739	Reactive groups: 0

Topological Properties
Globularity: 0.027952	Sterimol/B1: 1.969	Sterimol/B2: 3.61578	Sterimol/B3: 3.62464
Sterimol/B4: 7.11836	Sterimol/L: 20.6247

Surface and Volume Properties
Accessible surface: 588.787	Positive charged surface: 378.452	Negative charged surface: 204.934	Volume: 312.125
Hydrophobic surface: 518.613	Hydrophilic surface: 70.174

Pharmacophoric Properties
Hydrogen bond donors: 2	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.