MMsINC Database Search


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MMsINC code: MMs00750924

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(C)c1cc(ccc1OC)-c1nn(cc1C(Oc1ccccc1)=O)-c1ccccc1

InChI:

InChI=1/C24H20N2O4/c1-28-21-14-13-17(15-22(21)29-2)23-20(24(27)30-19-11-7-4-8-12-19)16-26(25-23)18-9-5-3-6-10-18/h3-16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.576 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -6.14879	SlogP: 4.7757	Reactive groups: 0

Topological Properties
Globularity: 0.0776398	Sterimol/B1: 2.53366	Sterimol/B2: 3.45989	Sterimol/B3: 4.98492
Sterimol/B4: 10.9813	Sterimol/L: 16.3294

Surface and Volume Properties
Accessible surface: 701.565	Positive charged surface: 434.428	Negative charged surface: 267.137	Volume: 382
Hydrophobic surface: 636.253	Hydrophilic surface: 65.312

Pharmacophoric Properties
Hydrogen bond donors: 0	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.