MMsINC Database Search


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MMsINC code: MMs01536463

Type: Neutral
Formula: C₂₃H₂₁NO₄

SMILES:

Oc1ccc(cc1)-c1ccc(cc1)C(OC(C(=O)N(C)c1ccccc1)C)=O

InChI:

InChI=1/C23H21NO4/c1-16(22(26)24(2)20-6-4-3-5-7-20)28-23(27)19-10-8-17(9-11-19)18-12-14-21(25)15-13-18/h3-16,25H,1-2H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.99 kcal/mol

Physical Properties
Molecular Weight: 375.424 g/mol	logS: -6.04869	SlogP: 4.2675	Reactive groups: 0

Topological Properties
Globularity: 0.0295192	Sterimol/B1: 2.30298	Sterimol/B2: 2.3452	Sterimol/B3: 4.95734
Sterimol/B4: 7.04737	Sterimol/L: 20.7874

Surface and Volume Properties
Accessible surface: 671.766	Positive charged surface: 365.922	Negative charged surface: 292.868	Volume: 365.25
Hydrophobic surface: 545.498	Hydrophilic surface: 126.268

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.