MMsINC Database Search


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MMsINC code: MMs00869958

Type: Neutral
Formula: C₂₄H₁₆N₂O₄

SMILES:

O=C1c2c(N(Cc3ccc(cc3)CN3c4c(cccc4)C(=O)C3=O)C1=O)cccc2

InChI:

InChI=1/C24H16N2O4/c27-21-17-5-1-3-7-19(17)25(23(21)29)13-15-9-11-16(12-10-15)14-26-20-8-4-2-6-18(20)22(28)24(26)30/h1-12H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.054 kcal/mol

Physical Properties
Molecular Weight: 396.402 g/mol	logS: -6.02038	SlogP: 3.6784	Reactive groups: 0

Topological Properties
Globularity: 0.0619697	Sterimol/B1: 2.88268	Sterimol/B2: 3.1704	Sterimol/B3: 4.4882
Sterimol/B4: 7.11264	Sterimol/L: 16.9581

Surface and Volume Properties
Accessible surface: 625.097	Positive charged surface: 319.006	Negative charged surface: 306.091	Volume: 364.375
Hydrophobic surface: 433.483	Hydrophilic surface: 191.614

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: 1

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Ions/Tautomers related molecules: no related molecules available.