MMsINC Database Search


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MMsINC code: MMs03333545

Type: Neutral
Formula: C₁₈H₁₉NO₂

SMILES:

OC1CC2N(C1=O)C(Cc1c2ccc2c1cccc2)(C)C

InChI:

InChI=1/C18H19NO2/c1-18(2)10-14-12-6-4-3-5-11(12)7-8-13(14)15-9-16(20)17(21)19(15)18/h3-8,15-16,20H,9-10H2,1-2H3/t15-,16+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.2478 kcal/mol

Physical Properties
Molecular Weight: 281.355 g/mol	logS: -4.28926	SlogP: 2.90427	Reactive groups: 0

Topological Properties
Globularity: 0.107499	Sterimol/B1: 2.42393	Sterimol/B2: 3.03904	Sterimol/B3: 4.06149
Sterimol/B4: 7.29315	Sterimol/L: 14.0547

Surface and Volume Properties
Accessible surface: 485.927	Positive charged surface: 296.994	Negative charged surface: 178.916	Volume: 277
Hydrophobic surface: 377.083	Hydrophilic surface: 108.844

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.