MMsINC Database Search


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MMsINC code: MMs03864776

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

o1c2c(nc1-c1ccccc1NC(=O)\C=C\c1ccc(cc1)C)cc(cc2)C

InChI:

InChI=1/C24H20N2O2/c1-16-7-10-18(11-8-16)12-14-23(27)25-20-6-4-3-5-19(20)24-26-21-15-17(2)9-13-22(21)28-24/h3-15H,1-2H3,(H,25,27)/b14-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.8442 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -8.1242	SlogP: 5.76354	Reactive groups: 0

Topological Properties
Globularity: 0.0124769	Sterimol/B1: 2.46022	Sterimol/B2: 2.89354	Sterimol/B3: 4.49556
Sterimol/B4: 9.96261	Sterimol/L: 17.6425

Surface and Volume Properties
Accessible surface: 671.602	Positive charged surface: 378.022	Negative charged surface: 293.58	Volume: 367
Hydrophobic surface: 605.829	Hydrophilic surface: 65.773

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.