MMsINC Database Search


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MMsINC code: MMs01958174

Type: Neutral
Formula: C₂₄H₂₁NO₄

SMILES:

O1c2c(ccc(Nc3cc(OC)ccc3)c2)C(=O)C(c2ccccc2OC)=C1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.513 kcal/mol

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

Topological Properties
Globularity: 0.0603202	Sterimol/B1: 2.30594	Sterimol/B2: 3.26347	Sterimol/B3: 5.68873
Sterimol/B4: 6.7071	Sterimol/L: 20.8487

Surface and Volume Properties
Accessible surface: 667.316	Positive charged surface: 445.736	Negative charged surface: 221.58	Volume: 377.625
Hydrophobic surface: 605.966	Hydrophilic surface: 61.35

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.