MMsINC Database Search


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MMsINC code: MMs01276345

Type: Neutral
Formula: C₂₀H₂₃NO₅

SMILES:

O(C)c1cccc(C(OCC(=O)NC(CCc2ccccc2)C)=O)c1O

InChI:

InChI=1/C20H23NO5/c1-14(11-12-15-7-4-3-5-8-15)21-18(22)13-26-20(24)16-9-6-10-17(25-2)19(16)23/h3-10,14,23H,11-13H2,1-2H3,(H,21,22)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.1475 kcal/mol

Physical Properties
Molecular Weight: 357.406 g/mol	logS: -3.98596	SlogP: 2.69507	Reactive groups: 0

Topological Properties
Globularity: 0.0367154	Sterimol/B1: 2.18739	Sterimol/B2: 2.50835	Sterimol/B3: 4.81391
Sterimol/B4: 7.67714	Sterimol/L: 21.6618

Surface and Volume Properties
Accessible surface: 668.002	Positive charged surface: 445.154	Negative charged surface: 222.848	Volume: 348.5
Hydrophobic surface: 526.359	Hydrophilic surface: 141.643

Pharmacophoric Properties
Hydrogen bond donors: 2	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.