MMsINC Database Search


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MMsINC code: MMs02107969

Type: Neutral
Formula: C₂₂H₁₆N₂O₄

SMILES:

O(C)c1cc(ccc1)C(O\N=C/1\c2c(N(C\1=O)c1ccccc1)cccc2)=O

InChI:

InChI=1/C22H16N2O4/c1-27-17-11-7-8-15(14-17)22(26)28-23-20-18-12-5-6-13-19(18)24(21(20)25)16-9-3-2-4-10-16/h2-14H,1H3/b23-20-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.809 kcal/mol

Physical Properties
Molecular Weight: 372.38 g/mol	logS: -6.1002	SlogP: 3.9346	Reactive groups: 0

Topological Properties
Globularity: 0.0218992	Sterimol/B1: 3.40745	Sterimol/B2: 3.50141	Sterimol/B3: 5.55647
Sterimol/B4: 6.81073	Sterimol/L: 18.0529

Surface and Volume Properties
Accessible surface: 642.995	Positive charged surface: 374.466	Negative charged surface: 268.529	Volume: 345.75
Hydrophobic surface: 543.884	Hydrophilic surface: 99.111

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.