MMsINC Database Search


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MMsINC code: MMs00678997

Type: Neutral
Formula: C₂₀H₁₉NO

SMILES:

O=C(Nc1ccccc1C(C)C)c1c2c(ccc1)cccc2

InChI:

InChI=1/C20H19NO/c1-14(2)16-10-5-6-13-19(16)21-20(22)18-12-7-9-15-8-3-4-11-17(15)18/h3-14H,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.803 kcal/mol

Physical Properties
Molecular Weight: 289.378 g/mol	logS: -6.42366	SlogP: 5.2155	Reactive groups: 0

Topological Properties
Globularity: 0.0502596	Sterimol/B1: 2.4785	Sterimol/B2: 3.24629	Sterimol/B3: 4.65094
Sterimol/B4: 7.3736	Sterimol/L: 14.6648

Surface and Volume Properties
Accessible surface: 534.382	Positive charged surface: 303.667	Negative charged surface: 221.917	Volume: 298.875
Hydrophobic surface: 478.045	Hydrophilic surface: 56.337

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.