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MMsINC code: MMs02821819

Type: Neutral
Formula: C₁₁H₁₅NO₂

SMILES:

OC1c2c(ccc(O)c2)C(NC1)(C)C

InChI:

InChI=1/C11H15NO2/c1-11(2)9-4-3-7(13)5-8(9)10(14)6-12-11/h3-5,10,12-14H,6H2,1-2H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9704 kcal/mol

Physical Properties
Molecular Weight: 193.246 g/mol	logS: -1.33771	SlogP: 1.6709	Reactive groups: 0

Topological Properties
Globularity: 0.168299	Sterimol/B1: 2.08507	Sterimol/B2: 3.42669	Sterimol/B3: 4.78653
Sterimol/B4: 5.91343	Sterimol/L: 10.4793

Surface and Volume Properties
Accessible surface: 386.961	Positive charged surface: 266.731	Negative charged surface: 120.229	Volume: 191.5
Hydrophobic surface: 234.842	Hydrophilic surface: 152.119

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs02821820
PUBCHEM-ZINC01841631