MMsINC Database Search


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MMsINC code: MMs01792236

Type: Neutral
Formula: C₁₉H₁₉NO₂

SMILES:

O(C)c1cc2c(N3C(CC2(C)C)c2c(cccc2)C3=O)cc1

InChI:

InChI=1/C19H19NO2/c1-19(2)11-17-13-6-4-5-7-14(13)18(21)20(17)16-9-8-12(22-3)10-15(16)19/h4-10,17H,11H2,1-3H3/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.5212 kcal/mol

Physical Properties
Molecular Weight: 293.366 g/mol	logS: -4.83774	SlogP: 4.1735	Reactive groups: 0

Topological Properties
Globularity: 0.0578712	Sterimol/B1: 2.39376	Sterimol/B2: 2.45362	Sterimol/B3: 4.69508
Sterimol/B4: 7.53559	Sterimol/L: 15.8437

Surface and Volume Properties
Accessible surface: 515.507	Positive charged surface: 331.732	Negative charged surface: 183.776	Volume: 291.25
Hydrophobic surface: 432.508	Hydrophilic surface: 82.999

Pharmacophoric Properties
Hydrogen bond donors: 0	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.