MMsINC Database Search


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MMsINC code: MMs02678229

Type: Neutral
Formula: C₁₉H₁₉NO

SMILES:

Oc1ccc2c(cccc2)c1CNc1cc(C)c(cc1)C

InChI:

InChI=1/C19H19NO/c1-13-7-9-16(11-14(13)2)20-12-18-17-6-4-3-5-15(17)8-10-19(18)21/h3-11,20-21H,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.2991 kcal/mol

Physical Properties
Molecular Weight: 277.367 g/mol	logS: -5.41301	SlogP: 5.04074	Reactive groups: 0

Topological Properties
Globularity: 0.0955527	Sterimol/B1: 3.34131	Sterimol/B2: 4.75506	Sterimol/B3: 5.01075
Sterimol/B4: 5.30406	Sterimol/L: 15.3995

Surface and Volume Properties
Accessible surface: 537.986	Positive charged surface: 308.932	Negative charged surface: 220.782	Volume: 287.625
Hydrophobic surface: 481.692	Hydrophilic surface: 56.294

Pharmacophoric Properties
Hydrogen bond donors: 2	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.