MMsINC Database Search


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MMsINC code: MMs02268151

Type: Neutral
Formula: C₂₄H₁₈N₂O₂

SMILES:

O=C1N(C(=O)CC1c1c2c([nH]c1-c1ccccc1)cccc2)c1ccccc1

InChI:

InChI=1/C24H18N2O2/c27-21-15-19(24(28)26(21)17-11-5-2-6-12-17)22-18-13-7-8-14-20(18)25-23(22)16-9-3-1-4-10-16/h1-14,19,25H,15H2/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.5379 kcal/mol

Physical Properties
Molecular Weight: 366.42 g/mol	logS: -6.28806	SlogP: 4.882	Reactive groups: 0

Topological Properties
Globularity: 0.0937574	Sterimol/B1: 2.4857	Sterimol/B2: 2.86449	Sterimol/B3: 4.97416
Sterimol/B4: 9.94111	Sterimol/L: 16.3063

Surface and Volume Properties
Accessible surface: 605.673	Positive charged surface: 308.688	Negative charged surface: 293.932	Volume: 354.125
Hydrophobic surface: 521.002	Hydrophilic surface: 84.671

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.