MMsINC Database Search


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MMsINC code: MMs00652402

Type: Neutral
Formula: C₂₄H₁₈N₂O₂

SMILES:

O=C1N(C(=O)CC1Nc1cc2c(cc1)cccc2)c1cc2c(cc1)cccc2

InChI:

InChI=1/C24H18N2O2/c27-23-15-22(25-20-11-9-16-5-1-3-7-18(16)13-20)24(28)26(23)21-12-10-17-6-2-4-8-19(17)14-21/h1-14,22,25H,15H2/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.292 kcal/mol

Physical Properties
Molecular Weight: 366.42 g/mol	logS: -7.24561	SlogP: 4.737	Reactive groups: 0

Topological Properties
Globularity: 0.0827405	Sterimol/B1: 2.55159	Sterimol/B2: 3.67228	Sterimol/B3: 4.32895
Sterimol/B4: 7.1069	Sterimol/L: 18.6384

Surface and Volume Properties
Accessible surface: 631.17	Positive charged surface: 321.534	Negative charged surface: 287.489	Volume: 352.25
Hydrophobic surface: 552.079	Hydrophilic surface: 79.091

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.