MMsINC Database Search


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MMsINC code: MMs01958486

Type: Neutral
Formula: C₂₅H₁₆N₂O₂

SMILES:

O(Cc1ccccc1)c1cc2c3c4n(c2cc1)C(=O)c1c(-c4ncc3)cccc1

InChI:

InChI=1/C25H16N2O2/c28-25-20-9-5-4-8-18(20)23-24-19(12-13-26-23)21-14-17(10-11-22(21)27(24)25)29-15-16-6-2-1-3-7-16/h1-14H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.693 kcal/mol

Physical Properties
Molecular Weight: 376.415 g/mol	logS: -6.8805	SlogP: 5.7038	Reactive groups: 0

Topological Properties
Globularity: 0.0222343	Sterimol/B1: 3.61685	Sterimol/B2: 3.62332	Sterimol/B3: 4.98511
Sterimol/B4: 5.62416	Sterimol/L: 20.5226

Surface and Volume Properties
Accessible surface: 639.069	Positive charged surface: 341.149	Negative charged surface: 279.456	Volume: 354.375
Hydrophobic surface: 579.296	Hydrophilic surface: 59.773

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: 0

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Ions/Tautomers related molecules: no related molecules available.