MMsINC Database Search


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MMsINC code: MMs02156028

Type: Neutral
Formula: C₁₉H₂₃NO

SMILES:

O=C(NCc1c(C)c(C)c(C)c(C)c1C)c1ccccc1

InChI:

InChI=1/C19H23NO/c1-12-13(2)15(4)18(16(5)14(12)3)11-20-19(21)17-9-7-6-8-10-17/h6-10H,11H2,1-5H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.2232 kcal/mol

Physical Properties
Molecular Weight: 281.399 g/mol	logS: -5.66851	SlogP: 4.4251	Reactive groups: 0

Topological Properties
Globularity: 0.136715	Sterimol/B1: 3.46402	Sterimol/B2: 4.74448	Sterimol/B3: 4.74895
Sterimol/B4: 5.26099	Sterimol/L: 15.6973

Surface and Volume Properties
Accessible surface: 544.706	Positive charged surface: 317.553	Negative charged surface: 227.154	Volume: 302
Hydrophobic surface: 503.378	Hydrophilic surface: 41.328

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.