MMsINC Database Search


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MMsINC code: MMs01951898

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

o1c2cc(C)c(cc2nc1-c1cccc(NC(=O)Cc2ccccc2)c1C)C

InChI:

InChI=1/C24H22N2O2/c1-15-12-21-22(13-16(15)2)28-24(26-21)19-10-7-11-20(17(19)3)25-23(27)14-18-8-5-4-6-9-18/h4-13H,14H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.847 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -7.84032	SlogP: 5.60123	Reactive groups: 0

Topological Properties
Globularity: 0.0465634	Sterimol/B1: 3.09244	Sterimol/B2: 4.57755	Sterimol/B3: 4.73658
Sterimol/B4: 4.76815	Sterimol/L: 20.7028

Surface and Volume Properties
Accessible surface: 671.422	Positive charged surface: 402.795	Negative charged surface: 268.627	Volume: 370.625
Hydrophobic surface: 608.488	Hydrophilic surface: 62.934

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.