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MMsINC code: MMs00114419

Type: Neutral
Formula: C₁₈H₁₉NO₃

SMILES:

O1c2cc(ccc2OC1)CNC(=O)CC(C)c1ccccc1

InChI:

InChI=1/C18H19NO3/c1-13(15-5-3-2-4-6-15)9-18(20)19-11-14-7-8-16-17(10-14)22-12-21-16/h2-8,10,13H,9,11-12H2,1H3,(H,19,20)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.6467 kcal/mol

Physical Properties
Molecular Weight: 297.354 g/mol	logS: -3.71262	SlogP: 3.4917	Reactive groups: 0

Topological Properties
Globularity: 0.0673888	Sterimol/B1: 2.10617	Sterimol/B2: 3.64366	Sterimol/B3: 4.10483
Sterimol/B4: 6.24154	Sterimol/L: 17.8159

Surface and Volume Properties
Accessible surface: 571.985	Positive charged surface: 371.169	Negative charged surface: 200.816	Volume: 294.125
Hydrophobic surface: 453.229	Hydrophilic surface: 118.756

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.