MMsINC Database Search


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MMsINC code: MMs02178638

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C(=O)c1c2cc(\C=C\c3ccccc3)c(N)cc2[nH]c1-c1ccccc1)C

InChI:

InChI=1/C24H20N2O2/c1-28-24(27)22-19-14-18(13-12-16-8-4-2-5-9-16)20(25)15-21(19)26-23(22)17-10-6-3-7-11-17/h2-15,26H,25H2,1H3/b13-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.252 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.7333	SlogP: 5.3741	Reactive groups: 0

Topological Properties
Globularity: 0.0159537	Sterimol/B1: 2.03395	Sterimol/B2: 2.42591	Sterimol/B3: 3.66461
Sterimol/B4: 9.74849	Sterimol/L: 19.7441

Surface and Volume Properties
Accessible surface: 657.045	Positive charged surface: 369.799	Negative charged surface: 281.757	Volume: 365.875
Hydrophobic surface: 550.486	Hydrophilic surface: 106.559

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