MMsINC Database Search


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MMsINC code: MMs00561153

Type: Neutral
Formula: C₂₈H₂₃NO₂

SMILES:

O(\N=C(/Cc1ccccc1)\c1ccc(cc1)-c1ccccc1)C(=O)c1ccc(cc1)C

InChI:

InChI=1/C28H23NO2/c1-21-12-14-26(15-13-21)28(30)31-29-27(20-22-8-4-2-5-9-22)25-18-16-24(17-19-25)23-10-6-3-7-11-23/h2-19H,20H2,1H3/b29-27+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=166.321 kcal/mol

Physical Properties
Molecular Weight: 405.497 g/mol	logS: -8.71069	SlogP: 6.46579	Reactive groups: 0

Topological Properties
Globularity: 0.032624	Sterimol/B1: 3.29325	Sterimol/B2: 3.77951	Sterimol/B3: 4.03067
Sterimol/B4: 7.65722	Sterimol/L: 21.4332

Surface and Volume Properties
Accessible surface: 714.994	Positive charged surface: 362.948	Negative charged surface: 341.425	Volume: 414.75
Hydrophobic surface: 666.603	Hydrophilic surface: 48.391

Pharmacophoric Properties
Hydrogen bond donors: 0	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.