MMsINC Database Search


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MMsINC code: MMs03270429

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O(C)c1ccc(\N=C\C=2c3c(cccc3)C(=O)N(C=2O)c2ccc(cc2)C)cc1

InChI:

InChI=1/C24H20N2O3/c1-16-7-11-18(12-8-16)26-23(27)21-6-4-3-5-20(21)22(24(26)28)15-25-17-9-13-19(29-2)14-10-17/h3-15,28H,1-2H3/b25-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.699 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -6.09221	SlogP: 5.29312	Reactive groups: 0

Topological Properties
Globularity: 0.0339106	Sterimol/B1: 2.33324	Sterimol/B2: 3.45611	Sterimol/B3: 3.54433
Sterimol/B4: 10.3263	Sterimol/L: 19.3166

Surface and Volume Properties
Accessible surface: 659.243	Positive charged surface: 403.908	Negative charged surface: 255.335	Volume: 372.75
Hydrophobic surface: 580.519	Hydrophilic surface: 78.724

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.