MMsINC Database Search


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MMsINC code: MMs00971181

Type: Neutral
Formula: C₂₄H₁₇NO₄

SMILES:

O1c2c(OC1)cc1N(C=C(C(=O)c3ccccc3)C(=O)c1c2)Cc1ccccc1

InChI:

InChI=1/C24H17NO4/c26-23(17-9-5-2-6-10-17)19-14-25(13-16-7-3-1-4-8-16)20-12-22-21(28-15-29-22)11-18(20)24(19)27/h1-12,14H,13,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.125 kcal/mol

Physical Properties
Molecular Weight: 383.403 g/mol	logS: -5.87045	SlogP: 4.6514	Reactive groups: 1

Topological Properties
Globularity: 0.0685746	Sterimol/B1: 2.55244	Sterimol/B2: 3.05963	Sterimol/B3: 4.53881
Sterimol/B4: 10.3021	Sterimol/L: 15.8692

Surface and Volume Properties
Accessible surface: 625.042	Positive charged surface: 345.902	Negative charged surface: 279.14	Volume: 357.75
Hydrophobic surface: 500.377	Hydrophilic surface: 124.665

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: 0

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Ions/Tautomers related molecules: no related molecules available.