MMsINC Database Search


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MMsINC code: MMs01965875

Type: Neutral
Formula: C₂₄H₂₁NO₄

SMILES:

O1c2c(ccc(Nc3ccc(OC)cc3)c2)C(=O)C(c2ccc(OC)cc2)=C1C

InChI:

InChI=1/C24H21NO4/c1-15-23(16-4-9-19(27-2)10-5-16)24(26)21-13-8-18(14-22(21)29-15)25-17-6-11-20(28-3)12-7-17/h4-14,25H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.935 kcal/mol

Physical Properties
Molecular Weight: 387.435 g/mol	logS: -6.28652	SlogP: 5.4537	Reactive groups: 1

Topological Properties
Globularity: 0.0383304	Sterimol/B1: 2.20665	Sterimol/B2: 2.36607	Sterimol/B3: 5.2524
Sterimol/B4: 7.13779	Sterimol/L: 21.3269

Surface and Volume Properties
Accessible surface: 669.628	Positive charged surface: 440.131	Negative charged surface: 229.497	Volume: 370.5
Hydrophobic surface: 599.937	Hydrophilic surface: 69.691

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.