MMsINC Database Search


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MMsINC code: MMs02576525

Type: Neutral
Formula: C₂₀H₂₃NO₄

SMILES:

O(CC)c1ccc(cc1)C(OC(C(=O)Nc1ccc(cc1)CC)C)=O

InChI:

InChI=1/C20H23NO4/c1-4-15-6-10-17(11-7-15)21-19(22)14(3)25-20(23)16-8-12-18(13-9-16)24-5-2/h6-14H,4-5H2,1-3H3,(H,21,22)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.0611 kcal/mol

Physical Properties
Molecular Weight: 341.407 g/mol	logS: -5.45698	SlogP: 3.83167	Reactive groups: 0

Topological Properties
Globularity: 0.0264878	Sterimol/B1: 3.29074	Sterimol/B2: 3.32123	Sterimol/B3: 3.76432
Sterimol/B4: 6.6565	Sterimol/L: 21.0121

Surface and Volume Properties
Accessible surface: 659.591	Positive charged surface: 414.835	Negative charged surface: 244.756	Volume: 341.875
Hydrophobic surface: 518.727	Hydrophilic surface: 140.864

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.