MMsINC Database Search


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MMsINC code: MMs03494008

Type: Neutral
Formula: C₂₄H₁₈N₂O₃

SMILES:

O(C)c1ccc(NC(=O)c2c3c(c4[nH]c5c(c4cc3)cccc5)ccc2O)cc1

InChI:

InChI=1/C24H18N2O3/c1-29-15-8-6-14(7-9-15)25-24(28)22-17-10-11-18-16-4-2-3-5-20(16)26-23(18)19(17)12-13-21(22)27/h2-13,26-27H,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.249 kcal/mol

Physical Properties
Molecular Weight: 382.419 g/mol	logS: -7.05776	SlogP: 5.4408	Reactive groups: 0

Topological Properties
Globularity: 0.0255118	Sterimol/B1: 2.45922	Sterimol/B2: 3.93175	Sterimol/B3: 4.47779
Sterimol/B4: 7.21205	Sterimol/L: 20.5937

Surface and Volume Properties
Accessible surface: 634.826	Positive charged surface: 360.793	Negative charged surface: 252.903	Volume: 361.125
Hydrophobic surface: 531.331	Hydrophilic surface: 103.495

Pharmacophoric Properties
Hydrogen bond donors: 3	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.