MMsINC Database Search


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MMsINC code: MMs00643147

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O(C)c1ccc(cc1)-c1nn(cc1C(OCc1ccccc1)=O)-c1ccccc1

InChI:

InChI=1/C24H20N2O3/c1-28-21-14-12-19(13-15-21)23-22(16-26(25-23)20-10-6-3-7-11-20)24(27)29-17-18-8-4-2-5-9-18/h2-16H,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.393 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -6.13398	SlogP: 5.1713	Reactive groups: 0

Topological Properties
Globularity: 0.0512199	Sterimol/B1: 2.06092	Sterimol/B2: 3.18123	Sterimol/B3: 4.09715
Sterimol/B4: 12.9612	Sterimol/L: 17.3064

Surface and Volume Properties
Accessible surface: 698.329	Positive charged surface: 404.444	Negative charged surface: 293.885	Volume: 375.75
Hydrophobic surface: 629.418	Hydrophilic surface: 68.911

Pharmacophoric Properties
Hydrogen bond donors: 0	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.