MMsINC Database Search


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MMsINC code: MMs03457461

Type: Neutral
Formula: C₂₁H₂₇NO₄

SMILES:

O(C)c1ccc(OC)cc1NC(=O)c1ccc(OCCCCCC)cc1

InChI:

InChI=1/C21H27NO4/c1-4-5-6-7-14-26-17-10-8-16(9-11-17)21(23)22-19-15-18(24-2)12-13-20(19)25-3/h8-13,15H,4-7,14H2,1-3H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.077 kcal/mol

Physical Properties
Molecular Weight: 357.45 g/mol	logS: -5.58065	SlogP: 4.9152	Reactive groups: 0

Topological Properties
Globularity: 0.0121657	Sterimol/B1: 2.66593	Sterimol/B2: 3.28906	Sterimol/B3: 5.16811
Sterimol/B4: 5.86464	Sterimol/L: 22.9705

Surface and Volume Properties
Accessible surface: 701.423	Positive charged surface: 519.47	Negative charged surface: 181.953	Volume: 365.125
Hydrophobic surface: 618.982	Hydrophilic surface: 82.441

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.