MMsINC Database Search


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MMsINC code: MMs00282733

Type: Neutral
Formula: C₂₅H₁₅NO₃

SMILES:

O=C1N(C(=O)c2c3c1ccc(c3ccc2)C(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H15NO3/c27-23(16-8-3-1-4-9-16)19-14-15-21-22-18(19)12-7-13-20(22)24(28)26(25(21)29)17-10-5-2-6-11-17/h1-15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.951 kcal/mol

Physical Properties
Molecular Weight: 377.399 g/mol	logS: -7.70928	SlogP: 4.8714	Reactive groups: 0

Topological Properties
Globularity: 0.0866085	Sterimol/B1: 2.6567	Sterimol/B2: 4.71012	Sterimol/B3: 5.03829
Sterimol/B4: 5.84455	Sterimol/L: 18.7373

Surface and Volume Properties
Accessible surface: 617.947	Positive charged surface: 304.164	Negative charged surface: 306.183	Volume: 353.375
Hydrophobic surface: 529.154	Hydrophilic surface: 88.793

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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.