MMsINC Database Search


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MMsINC code: MMs00612310

Type: Neutral
Formula: C₁₉H₂₃NO₄

SMILES:

O(C)c1cc(ccc1OC)CCNC(=O)C(Oc1ccccc1)C

InChI:

InChI=1/C19H23NO4/c1-14(24-16-7-5-4-6-8-16)19(21)20-12-11-15-9-10-17(22-2)18(13-15)23-3/h4-10,13-14H,11-12H2,1-3H3,(H,20,21)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.412 kcal/mol

Physical Properties
Molecular Weight: 329.396 g/mol	logS: -3.86517	SlogP: 2.82997	Reactive groups: 0

Topological Properties
Globularity: 0.0425439	Sterimol/B1: 3.0529	Sterimol/B2: 3.37483	Sterimol/B3: 4.63411
Sterimol/B4: 6.15334	Sterimol/L: 20.3023

Surface and Volume Properties
Accessible surface: 642.191	Positive charged surface: 448.08	Negative charged surface: 194.111	Volume: 327.75
Hydrophobic surface: 555.186	Hydrophilic surface: 87.005

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.